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2-[1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzoic Acid structure
Fine Chemical

2-[1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzoic Acid

TL;DR: 2-[1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzoic Acid (CAS 114610-10-5) is a chemical compound with molecular formula C19H19FO2 and molecular weight 298.1369 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-[1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzoic acid

Also Known As: 2-[1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzoic Acid, Benzoic acid, 2-(1-(3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)ethyl)-, Benzoic acid,2-[1-(3-fluoro-5,6,7,8-tetrahydro-2-naphthalenyl)ethyl]-, (7S,12R)-6-Fluoro-7,12-dimethyl-1,2,3,4,7,12-hexahydro-benzo[a]anthracene-7,12-diol

CAS Number
114610-10-5
Molecular Formula
C19H19FO2
Molecular Weight
298.1369 g/mol
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Technical Specifications

Molecular FormulaC19H19FO2
Molecular Weight298.1369 g/mol
XLogP5.2
Topological Polar Surface Area (TPSA)37.3 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors3
Rotatable Bonds3
Exact Mass298.1369 Da
Heavy Atoms22
Complexity397.0
SMILESCC(C1=CC=CC=C1C(=O)O)C2=C(C=C3CCCCC3=C2)F
InChIKeyFOPUZNHKPBBERL-UHFFFAOYSA-N

Chemical Property Profile of 2-[1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzoic Acid

XLogP
5.2
TPSA (Topological Polar Surface Area)
37.3
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
Rotatable Bonds
3
Heavy Atoms
22
Complexity
397.0
Exact Mass
298.1369
Monoisotopic Mass
298.1369
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 2-[1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzoic Acid

The XLogP value of 5.2 indicates that 2-[1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-[1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzoic Acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 2-[1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzoic Acid?

The CAS number of 2-[1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzoic Acid is 114610-10-5.

What is the molecular formula of 2-[1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzoic Acid?

The molecular formula of 2-[1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzoic Acid is C19H19FO2.

What is the molecular weight of 2-[1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzoic Acid?

The molecular weight of 2-[1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzoic Acid is 298.1369 g/mol.

Where can I buy 2-[1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzoic Acid?

You can request a quote for 2-[1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 2-[1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzoic Acid?

Yes, CoreyChem provides custom synthesis services for 2-[1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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