4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanal
TL;DR: 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanal (CAS 21379-32-8) is a chemical compound with molecular formula C5H4F6O2 and molecular weight 210.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanal
Also Known As: NIOSH/ES3160000, 4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanal, 4,4,4-Trifluoro-3-hydroxy-3-trifluoromethyl butyraldehyde, Butyraldehyde, 3-hydroxy-4,4,4-trifluoro-2-(trifluoromethyl)-
| Molecular Formula | C5H4F6O2 |
|---|---|
| Molecular Weight | 210.01 g/mol |
| LogP | 1.4311 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.01155 |
| Heavy Atoms | 13 |
| Complexity | 178.18175 |
Chemical Identifiers
| CAS Number | 21379-32-8 |
|---|---|
| SMILES | C(C=O)C(C(F)(F)F)(C(F)(F)F)O |
Product Overview
4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanal (CAS 21379-32-8), with molecular formula C5H4F6O2 and molecular weight 210.01 g/mol. IUPAC: 4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanal.
Chemical Property Profile of 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanal
Property Insights of 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanal
The XLogP value of 1.4311 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanal. With a topological polar surface area (TPSA) of 37.3 Ų, 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanal has 1 hydrogen bond donor(s) and 2 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-hydroxy-3-(trifluoromethyl)butanal?
The CAS number of 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanal is 21379-32-8.
What is the molecular formula of 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanal?
The molecular formula of 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanal is C5H4F6O2.
What is the molecular weight of 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanal?
The molecular weight of 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanal is 210.01 g/mol.
Where can I buy 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanal?
You can request a quote for 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanal 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-hydroxy-3-(trifluoromethyl)butanal?
Yes, KEHONG BIO provides custom synthesis services for 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.