1,1,1-Trifluorobutan-2-amine
TL;DR: 1,1,1-Trifluorobutan-2-amine (CAS 758-33-8) is a chemical compound with molecular formula C4H8F3N and molecular weight 127.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluorobutan-2-amine
Also Known As: 1,1,1-trifluorobutan-2-amine, 1,1,1-Trifluoro-2-butylamine, (S)-1-Trifluoromethyl-propylamine, (2R)-1,1,1-Trifluorobutan-2-amine, (2S)-1,1,1-Trifluorobutan-2-amine
| Molecular Formula | C4H8F3N |
|---|---|
| Molecular Weight | 127.06 g/mol |
| LogP | 1.286 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 127.06088 |
| Heavy Atoms | 8 |
| Complexity | 68.1739 |
Chemical Identifiers
| CAS Number | 758-33-8 |
|---|---|
| SMILES | CCC(C(F)(F)F)N |
Product Overview
1,1,1-Trifluorobutan-2-amine (CAS 758-33-8), with molecular formula C4H8F3N and molecular weight 127.06 g/mol. IUPAC: 1,1,1-trifluorobutan-2-amine.
Chemical Property Profile of 1,1,1-Trifluorobutan-2-amine
Property Insights of 1,1,1-Trifluorobutan-2-amine
The XLogP value of 1.286 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trifluorobutan-2-amine. With a topological polar surface area (TPSA) of 26.02 Ų, 1,1,1-Trifluorobutan-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluorobutan-2-amine has 1 hydrogen bond donor(s) and 1 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 1,1,1-Trifluorobutan-2-amine?
The CAS number of 1,1,1-Trifluorobutan-2-amine is 758-33-8.
What is the molecular formula of 1,1,1-Trifluorobutan-2-amine?
The molecular formula of 1,1,1-Trifluorobutan-2-amine is C4H8F3N.
What is the molecular weight of 1,1,1-Trifluorobutan-2-amine?
The molecular weight of 1,1,1-Trifluorobutan-2-amine is 127.06 g/mol.
Where can I buy 1,1,1-Trifluorobutan-2-amine?
You can request a quote for 1,1,1-Trifluorobutan-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trifluorobutan-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluorobutan-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.