4-(Trifluoromethyl)formanilide
TL;DR: 4-(Trifluoromethyl)formanilide (CAS 74702-40-2) is a chemical compound with molecular formula C8H6F3NO and molecular weight 189.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(trifluoromethyl)phenyl]formamide
Also Known As: N-(4-(Trifluoromethyl)phenyl) formamide, 4-(Trifluoromethyl)formanilide, N-(4-(trifluoromethyl)phenyl)formamide, N-[4-(trifluoromethyl)phenyl]formamide, N-(4-trifluoromethyl-phenyl)-formamide
| Molecular Formula | C8H6F3NO |
|---|---|
| Molecular Weight | 189.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.04015 |
| Heavy Atoms | 13 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 74702-40-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(F)(F)F)NC=O |
| InChIKey | VBKNPSYHKKJAFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Trifluoromethyl)formanilide (CAS 74702-40-2), with molecular formula C8H6F3NO and molecular weight 189.04 g/mol. IUPAC: N-[4-(trifluoromethyl)phenyl]formamide.
Chemical Property Profile of 4-(Trifluoromethyl)formanilide
Property Insights of 4-(Trifluoromethyl)formanilide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Trifluoromethyl)formanilide. With a topological polar surface area (TPSA) of 29.1 Ų, 4-(Trifluoromethyl)formanilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Trifluoromethyl)formanilide 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
Frequently Asked Questions
What is the CAS number of 4-(Trifluoromethyl)formanilide?
The CAS number of 4-(Trifluoromethyl)formanilide is 74702-40-2.
What is the molecular formula of 4-(Trifluoromethyl)formanilide?
The molecular formula of 4-(Trifluoromethyl)formanilide is C8H6F3NO.
What is the molecular weight of 4-(Trifluoromethyl)formanilide?
The molecular weight of 4-(Trifluoromethyl)formanilide is 189.04 g/mol.
Where can I buy 4-(Trifluoromethyl)formanilide?
You can request a quote for 4-(Trifluoromethyl)formanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Trifluoromethyl)formanilide?
Yes, KEHONG BIO provides custom synthesis services for 4-(Trifluoromethyl)formanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.