4,4,4-Trifluoro-3,3-bis(trifluoromethyl)-1-butanol
TL;DR: 4,4,4-Trifluoro-3,3-bis(trifluoromethyl)-1-butanol (CAS 14115-49-2) is a chemical compound with molecular formula C6H5F9O and molecular weight 264.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluoro-3,3-bis(trifluoromethyl)butan-1-ol
Also Known As: 3,3-bis(trifluoromethyl)-4,4,4-trifluorobutan-1-ol, 4,4,4-trifluoro-3,3-bis(trifluoromethyl)butan-1-ol, 3-(Nonafluoro-tert-butyl)propan-1-ol, 4,4,4-Trifluoro-3,3-bis(trifluoromethyl)-1-butanol, 1-Butanol, 4,4,4-trifluoro-3,3-bis(trifluoromethyl)-
| Molecular Formula | C6H5F9O |
|---|---|
| Molecular Weight | 264.02 g/mol |
| LogP | 3.0421 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.01965 |
| Heavy Atoms | 16 |
| Complexity | 197.81534 |
Chemical Identifiers
| CAS Number | 14115-49-2 |
|---|---|
| SMILES | C(CO)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F |
Product Overview
4,4,4-Trifluoro-3,3-bis(trifluoromethyl)-1-butanol (CAS 14115-49-2), with molecular formula C6H5F9O and molecular weight 264.02 g/mol. IUPAC: 4,4,4-trifluoro-3,3-bis(trifluoromethyl)butan-1-ol.
Chemical Property Profile of 4,4,4-Trifluoro-3,3-bis(trifluoromethyl)-1-butanol
Property Insights of 4,4,4-Trifluoro-3,3-bis(trifluoromethyl)-1-butanol
The XLogP value of 3.0421 indicates that 4,4,4-Trifluoro-3,3-bis(trifluoromethyl)-1-butanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.23 Ų, 4,4,4-Trifluoro-3,3-bis(trifluoromethyl)-1-butanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-Trifluoro-3,3-bis(trifluoromethyl)-1-butanol 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 4,4,4-Trifluoro-3,3-bis(trifluoromethyl)-1-butanol?
The CAS number of 4,4,4-Trifluoro-3,3-bis(trifluoromethyl)-1-butanol is 14115-49-2.
What is the molecular formula of 4,4,4-Trifluoro-3,3-bis(trifluoromethyl)-1-butanol?
The molecular formula of 4,4,4-Trifluoro-3,3-bis(trifluoromethyl)-1-butanol is C6H5F9O.
What is the molecular weight of 4,4,4-Trifluoro-3,3-bis(trifluoromethyl)-1-butanol?
The molecular weight of 4,4,4-Trifluoro-3,3-bis(trifluoromethyl)-1-butanol is 264.02 g/mol.
Where can I buy 4,4,4-Trifluoro-3,3-bis(trifluoromethyl)-1-butanol?
You can request a quote for 4,4,4-Trifluoro-3,3-bis(trifluoromethyl)-1-butanol 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-3,3-bis(trifluoromethyl)-1-butanol?
Yes, KEHONG BIO provides custom synthesis services for 4,4,4-Trifluoro-3,3-bis(trifluoromethyl)-1-butanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.