N-tert-butyl-3-chloro-4,4,4-trifluorobut-2-en-1-amine
TL;DR: N-tert-butyl-3-chloro-4,4,4-trifluorobut-2-en-1-amine (CAS 191591-45-4) is a chemical compound with molecular formula C8H13ClF3N and molecular weight 215.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-3-chloro-4,4,4-trifluorobut-2-en-1-amine
Also Known As: 4-(tert-Butylamino)-2-chloro-1,1,1-trifluoro-but-2-ene
| Molecular Formula | C8H13ClF3N |
|---|---|
| Molecular Weight | 215.07 g/mol |
| LogP | 3.0595 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.06886 |
| Heavy Atoms | 13 |
| Complexity | 190.54626 |
Chemical Identifiers
| CAS Number | 191591-45-4 |
|---|---|
| SMILES | CC(C)(C)NCC=C(C(F)(F)F)Cl |
Product Overview
N-tert-butyl-3-chloro-4,4,4-trifluorobut-2-en-1-amine (CAS 191591-45-4), with molecular formula C8H13ClF3N and molecular weight 215.07 g/mol. IUPAC: N-tert-butyl-3-chloro-4,4,4-trifluorobut-2-en-1-amine.
Chemical Property Profile of N-tert-butyl-3-chloro-4,4,4-trifluorobut-2-en-1-amine
Property Insights of N-tert-butyl-3-chloro-4,4,4-trifluorobut-2-en-1-amine
The XLogP value of 3.0595 indicates that N-tert-butyl-3-chloro-4,4,4-trifluorobut-2-en-1-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, N-tert-butyl-3-chloro-4,4,4-trifluorobut-2-en-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-tert-butyl-3-chloro-4,4,4-trifluorobut-2-en-1-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 N-tert-butyl-3-chloro-4,4,4-trifluorobut-2-en-1-amine?
The CAS number of N-tert-butyl-3-chloro-4,4,4-trifluorobut-2-en-1-amine is 191591-45-4.
What is the molecular formula of N-tert-butyl-3-chloro-4,4,4-trifluorobut-2-en-1-amine?
The molecular formula of N-tert-butyl-3-chloro-4,4,4-trifluorobut-2-en-1-amine is C8H13ClF3N.
What is the molecular weight of N-tert-butyl-3-chloro-4,4,4-trifluorobut-2-en-1-amine?
The molecular weight of N-tert-butyl-3-chloro-4,4,4-trifluorobut-2-en-1-amine is 215.07 g/mol.
Where can I buy N-tert-butyl-3-chloro-4,4,4-trifluorobut-2-en-1-amine?
You can request a quote for N-tert-butyl-3-chloro-4,4,4-trifluorobut-2-en-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-butyl-3-chloro-4,4,4-trifluorobut-2-en-1-amine?
Yes, KEHONG BIO provides custom synthesis services for N-tert-butyl-3-chloro-4,4,4-trifluorobut-2-en-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.