4,4,4-Trifluoro-N-phenylbutanamide
TL;DR: 4,4,4-Trifluoro-N-phenylbutanamide (CAS 127977-39-3) is a chemical compound with molecular formula C10H10F3NO and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluoro-N-phenylbutanamide
Also Known As: 4,4,4-Trifluoro-N-phenylbutanamide, Butanamide, 4,4,4-trifluoro-N-phenyl-, 4,4,4-Trifluoro-N-phenylbutanamide #
| Molecular Formula | C10H10F3NO |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.07144 |
| Heavy Atoms | 15 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 127977-39-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)CCC(F)(F)F |
| InChIKey | SKHDVWCDGSGOJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4,4-Trifluoro-N-phenylbutanamide (CAS 127977-39-3), with molecular formula C10H10F3NO and molecular weight 217.07 g/mol. IUPAC: 4,4,4-trifluoro-N-phenylbutanamide.
Chemical Property Profile of 4,4,4-Trifluoro-N-phenylbutanamide
Property Insights of 4,4,4-Trifluoro-N-phenylbutanamide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,4-Trifluoro-N-phenylbutanamide. With a topological polar surface area (TPSA) of 29.1 Ų, 4,4,4-Trifluoro-N-phenylbutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-Trifluoro-N-phenylbutanamide 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 4,4,4-Trifluoro-N-phenylbutanamide?
The CAS number of 4,4,4-Trifluoro-N-phenylbutanamide is 127977-39-3.
What is the molecular formula of 4,4,4-Trifluoro-N-phenylbutanamide?
The molecular formula of 4,4,4-Trifluoro-N-phenylbutanamide is C10H10F3NO.
What is the molecular weight of 4,4,4-Trifluoro-N-phenylbutanamide?
The molecular weight of 4,4,4-Trifluoro-N-phenylbutanamide is 217.07 g/mol.
Where can I buy 4,4,4-Trifluoro-N-phenylbutanamide?
You can request a quote for 4,4,4-Trifluoro-N-phenylbutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,4-Trifluoro-N-phenylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for 4,4,4-Trifluoro-N-phenylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.