![tert-butyl N-[(3-fluorophenyl)methylideneamino]carbamate structure](/static/products/112/112961-36-1.webp)
tert-butyl N-[(3-fluorophenyl)methylideneamino]carbamate
TL;DR: tert-butyl N-[(3-fluorophenyl)methylideneamino]carbamate (CAS 112961-36-1) is a chemical compound with molecular formula C12H15FN2O2 and molecular weight 238.11176 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[(3-fluorophenyl)methylideneamino]carbamate
Also Known As: 3-fluorobenzaldehyde (tert-butoxycarbonyl)hydrazone
Technical Specifications
| Molecular Formula | C12H15FN2O2 |
| Molecular Weight | 238.11176 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.11176 Da |
| Heavy Atoms | 17 |
| Complexity | 287.0 |
| SMILES | CC(C)(C)OC(=O)NN=CC1=CC(=CC=C1)F |
| InChIKey | MPSJKMNPYRSUDW-UHFFFAOYSA-N |
Chemical Property Profile of tert-butyl N-[(3-fluorophenyl)methylideneamino]carbamate
Property Insights of tert-butyl N-[(3-fluorophenyl)methylideneamino]carbamate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl N-[(3-fluorophenyl)methylideneamino]carbamate. With a topological polar surface area (TPSA) of 50.7 Ų, tert-butyl N-[(3-fluorophenyl)methylideneamino]carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-butyl N-[(3-fluorophenyl)methylideneamino]carbamate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of tert-butyl N-[(3-fluorophenyl)methylideneamino]carbamate?
The CAS number of tert-butyl N-[(3-fluorophenyl)methylideneamino]carbamate is 112961-36-1.
What is the molecular formula of tert-butyl N-[(3-fluorophenyl)methylideneamino]carbamate?
The molecular formula of tert-butyl N-[(3-fluorophenyl)methylideneamino]carbamate is C12H15FN2O2.
What is the molecular weight of tert-butyl N-[(3-fluorophenyl)methylideneamino]carbamate?
The molecular weight of tert-butyl N-[(3-fluorophenyl)methylideneamino]carbamate is 238.11176 g/mol.
Where can I buy tert-butyl N-[(3-fluorophenyl)methylideneamino]carbamate?
You can request a quote for tert-butyl N-[(3-fluorophenyl)methylideneamino]carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-butyl N-[(3-fluorophenyl)methylideneamino]carbamate?
Yes, CoreyChem provides custom synthesis services for tert-butyl N-[(3-fluorophenyl)methylideneamino]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.