1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethan-1-one
TL;DR: 1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethan-1-one (CAS 109317-74-0) is a chemical compound with molecular formula C7H7F3O2 and molecular weight 180.03981 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanone
Also Known As: 1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethan-1-one, 1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanone, Ethanone, 1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoro- (9CI), 1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoro-1-ethanone, 3,4-Dihydro-5-trifluoroacetyl-2H-pyran
Technical Specifications
| Molecular Formula | C7H7F3O2 |
| Molecular Weight | 180.03981 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.03981 Da |
| Heavy Atoms | 12 |
| Complexity | 217.0 |
| SMILES | C1CC(=COC1)C(=O)C(F)(F)F |
| InChIKey | CTFORTFPVUYECO-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethan-1-one
Property Insights of 1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethan-1-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethan-1-one. With a topological polar surface area (TPSA) of 26.3 Ų, 1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethan-1-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethan-1-one?
The CAS number of 1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethan-1-one is 109317-74-0.
What is the molecular formula of 1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethan-1-one?
The molecular formula of 1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethan-1-one is C7H7F3O2.
What is the molecular weight of 1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethan-1-one?
The molecular weight of 1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethan-1-one is 180.03981 g/mol.
Where can I buy 1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethan-1-one?
You can request a quote for 1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethan-1-one?
Yes, CoreyChem provides custom synthesis services for 1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.