4,4,4-Trifluorobutylamine
TL;DR: 4,4,4-Trifluorobutylamine (CAS 819-46-5) is a chemical compound with molecular formula C(CC(F)(F)F)CN and molecular weight 127.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluorobutan-1-amine
Also Known As: 4,4,4-Trifluorobutylamine, 4,4,4-trifluorobutan-1-amine, 1-Butanamine,4,4,4-trifluoro-, CF3CH2CH2CH2NH2, 1-Butanamine, 4,4,4-trifluoro-
| Molecular Formula | C(CC(F)(F)F)CN |
|---|---|
| Molecular Weight | 127.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 127.06088 |
| Heavy Atoms | 8 |
| Complexity | 58.0 |
Chemical Identifiers
| CAS Number | 819-46-5 |
|---|---|
| SMILES | C(CC(F)(F)F)CN |
| InChIKey | LAXWLCVPJLBABV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4,4-Trifluorobutylamine (CAS 819-46-5), with molecular formula C(CC(F)(F)F)CN and molecular weight 127.06 g/mol. IUPAC: 4,4,4-trifluorobutan-1-amine.
Chemical Property Profile of 4,4,4-Trifluorobutylamine
Property Insights of 4,4,4-Trifluorobutylamine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,4-Trifluorobutylamine. With a topological polar surface area (TPSA) of 26.0 Ų, 4,4,4-Trifluorobutylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-Trifluorobutylamine 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-Trifluorobutylamine?
The CAS number of 4,4,4-Trifluorobutylamine is 819-46-5.
What is the molecular formula of 4,4,4-Trifluorobutylamine?
The molecular formula of 4,4,4-Trifluorobutylamine is C(CC(F)(F)F)CN.
What is the molecular weight of 4,4,4-Trifluorobutylamine?
The molecular weight of 4,4,4-Trifluorobutylamine is 127.06 g/mol.
Where can I buy 4,4,4-Trifluorobutylamine?
You can request a quote for 4,4,4-Trifluorobutylamine 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-Trifluorobutylamine?
Yes, KEHONG BIO provides custom synthesis services for 4,4,4-Trifluorobutylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.