3'-Trifluoromethylcyclopentanecarboxanilide
TL;DR: 3'-Trifluoromethylcyclopentanecarboxanilide (CAS 13691-84-4) is a chemical compound with molecular formula C13H14F3NO and molecular weight 257.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(trifluoromethyl)phenyl]cyclopentanecarboxamide
Also Known As: 3'-Trifluoromethylcyclopentanecarboxanilide, N-[3-(Trifluoromethyl)phenyl]cyclopentanecarboxamide, 3'-(Trifluoromethyl)cyclopentanecarboxanilide, 3/'-Trifluoromethylcyclopentanecarboxanilide, Cyclopentanecarboxamide,N-[3-(trifluoromethyl)phenyl]-
| Molecular Formula | C13H14F3NO |
|---|---|
| Molecular Weight | 257.10 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.10275 |
| Heavy Atoms | 18 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 13691-84-4 |
|---|---|
| SMILES | C1CCC(C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F |
| InChIKey | PPEXRKPFMAVBPF-UHFFFAOYSA-N |
Product Overview
3'-Trifluoromethylcyclopentanecarboxanilide (CAS 13691-84-4), with molecular formula C13H14F3NO and molecular weight 257.10 g/mol. IUPAC: N-[3-(trifluoromethyl)phenyl]cyclopentanecarboxamide.
Chemical Property Profile of 3'-Trifluoromethylcyclopentanecarboxanilide
Property Insights of 3'-Trifluoromethylcyclopentanecarboxanilide
The XLogP value of 4.1 indicates that 3'-Trifluoromethylcyclopentanecarboxanilide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 3'-Trifluoromethylcyclopentanecarboxanilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3'-Trifluoromethylcyclopentanecarboxanilide 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 3'-Trifluoromethylcyclopentanecarboxanilide?
The CAS number of 3'-Trifluoromethylcyclopentanecarboxanilide is 13691-84-4.
What is the molecular formula of 3'-Trifluoromethylcyclopentanecarboxanilide?
The molecular formula of 3'-Trifluoromethylcyclopentanecarboxanilide is C13H14F3NO.
What is the molecular weight of 3'-Trifluoromethylcyclopentanecarboxanilide?
The molecular weight of 3'-Trifluoromethylcyclopentanecarboxanilide is 257.10 g/mol.
Where can I buy 3'-Trifluoromethylcyclopentanecarboxanilide?
You can request a quote for 3'-Trifluoromethylcyclopentanecarboxanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Trifluoromethylcyclopentanecarboxanilide?
Yes, KEHONG BIO provides custom synthesis services for 3'-Trifluoromethylcyclopentanecarboxanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.