3'-Trifluoromethyl-2,2-dimethylvaleranilide
TL;DR: 3'-Trifluoromethyl-2,2-dimethylvaleranilide (CAS 2300-87-0) is a chemical compound with molecular formula C14H18F3NO and molecular weight 273.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]pentanamide
Also Known As: 3'-Trifluoromethyl-2,2-dimethylvaleranilide, 2,2-Dimethyl-N-[3-(trifluoromethyl)phenyl]pentanamide, 3'-(Trifluoromethyl)-2,2-dimethylvaleranilide, 3-trifluoromethyl-2,2-dimethylvaleranilide, 2,2-Dimethyl-3'-(trifluoromethyl)pentanoanilide
| Molecular Formula | C14H18F3NO |
|---|---|
| Molecular Weight | 273.13 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.13406 |
| Heavy Atoms | 19 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 2300-87-0 |
|---|---|
| SMILES | CCCC(C)(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F |
| InChIKey | JZGSGKPJMMYYGT-UHFFFAOYSA-N |
Product Overview
3'-Trifluoromethyl-2,2-dimethylvaleranilide (CAS 2300-87-0), with molecular formula C14H18F3NO and molecular weight 273.13 g/mol. IUPAC: 2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]pentanamide.
Chemical Property Profile of 3'-Trifluoromethyl-2,2-dimethylvaleranilide
Property Insights of 3'-Trifluoromethyl-2,2-dimethylvaleranilide
The XLogP value of 4.9 indicates that 3'-Trifluoromethyl-2,2-dimethylvaleranilide 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'-Trifluoromethyl-2,2-dimethylvaleranilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3'-Trifluoromethyl-2,2-dimethylvaleranilide 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'-Trifluoromethyl-2,2-dimethylvaleranilide?
The CAS number of 3'-Trifluoromethyl-2,2-dimethylvaleranilide is 2300-87-0.
What is the molecular formula of 3'-Trifluoromethyl-2,2-dimethylvaleranilide?
The molecular formula of 3'-Trifluoromethyl-2,2-dimethylvaleranilide is C14H18F3NO.
What is the molecular weight of 3'-Trifluoromethyl-2,2-dimethylvaleranilide?
The molecular weight of 3'-Trifluoromethyl-2,2-dimethylvaleranilide is 273.13 g/mol.
Where can I buy 3'-Trifluoromethyl-2,2-dimethylvaleranilide?
You can request a quote for 3'-Trifluoromethyl-2,2-dimethylvaleranilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Trifluoromethyl-2,2-dimethylvaleranilide?
Yes, KEHONG BIO provides custom synthesis services for 3'-Trifluoromethyl-2,2-dimethylvaleranilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.