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Methyl N-[2-(trifluoromethyl)phenyl]carbamate
TL;DR: Methyl N-[2-(trifluoromethyl)phenyl]carbamate (CAS 113932-80-2) is a chemical compound with molecular formula C9H8F3NO2 and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[2-(trifluoromethyl)phenyl]carbamate
Also Known As: Methyl N-[2-(trifluoromethyl)phenyl]carbamate, methyl 2-(trifluoromethyl)phenylcarbamate, Methyl [2-(trifluoromethyl)phenyl]carbamate, J1.558.792J, [2-(Trifluoromethyl)phenyl]carbamic acid methyl ester
| Molecular Formula | C9H8F3NO2 |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 2.8837 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.05072 |
| Heavy Atoms | 15 |
| Complexity | 362.62024 |
Chemical Identifiers
| CAS Number | 113932-80-2 |
|---|---|
| SMILES | COC(=O)NC1=CC=CC=C1C(F)(F)F |
Product Overview
Methyl N-[2-(trifluoromethyl)phenyl]carbamate (CAS 113932-80-2), with molecular formula C9H8F3NO2 and molecular weight 219.05 g/mol. IUPAC: methyl N-[2-(trifluoromethyl)phenyl]carbamate.
Chemical Property Profile of Methyl N-[2-(trifluoromethyl)phenyl]carbamate
Property Insights of Methyl N-[2-(trifluoromethyl)phenyl]carbamate
The XLogP value of 2.8837 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-[2-(trifluoromethyl)phenyl]carbamate. With a topological polar surface area (TPSA) of 38.33 Ų, Methyl N-[2-(trifluoromethyl)phenyl]carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl N-[2-(trifluoromethyl)phenyl]carbamate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl N-[2-(trifluoromethyl)phenyl]carbamate?
The CAS number of Methyl N-[2-(trifluoromethyl)phenyl]carbamate is 113932-80-2.
What is the molecular formula of Methyl N-[2-(trifluoromethyl)phenyl]carbamate?
The molecular formula of Methyl N-[2-(trifluoromethyl)phenyl]carbamate is C9H8F3NO2.
What is the molecular weight of Methyl N-[2-(trifluoromethyl)phenyl]carbamate?
The molecular weight of Methyl N-[2-(trifluoromethyl)phenyl]carbamate is 219.05 g/mol.
Where can I buy Methyl N-[2-(trifluoromethyl)phenyl]carbamate?
You can request a quote for Methyl N-[2-(trifluoromethyl)phenyl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-[2-(trifluoromethyl)phenyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-[2-(trifluoromethyl)phenyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.