4,4,4-Trifluorobutanal
TL;DR: 4,4,4-Trifluorobutanal (CAS 1448773-75-8) is a chemical compound with molecular formula C4H5F3O and molecular weight 126.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluorobutanal
Also Known As: 4,4,4-trifluorobutanal, 4,4,4-trifluorobutyraldehyde, Butanal,4,4,4-trifluoro-, Butanal, 4,4,4-trifluoro-, 4,4,4-trifluoro-butyraldehyde
| Molecular Formula | C4H5F3O |
|---|---|
| Molecular Weight | 126.03 g/mol |
| LogP | 1.5278 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 126.02925 |
| Heavy Atoms | 8 |
| Complexity | 75.842834 |
Chemical Identifiers
| CAS Number | 1448773-75-8 |
|---|---|
| SMILES | C(CC(F)(F)F)C=O |
Product Overview
4,4,4-Trifluorobutanal (CAS 1448773-75-8), with molecular formula C4H5F3O and molecular weight 126.03 g/mol. IUPAC: 4,4,4-trifluorobutanal.
Chemical Property Profile of 4,4,4-Trifluorobutanal
Property Insights of 4,4,4-Trifluorobutanal
The XLogP value of 1.5278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,4-Trifluorobutanal. With a topological polar surface area (TPSA) of 17.07 Ų, 4,4,4-Trifluorobutanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-Trifluorobutanal has 0 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-Trifluorobutanal?
The CAS number of 4,4,4-Trifluorobutanal is 1448773-75-8.
What is the molecular formula of 4,4,4-Trifluorobutanal?
The molecular formula of 4,4,4-Trifluorobutanal is C4H5F3O.
What is the molecular weight of 4,4,4-Trifluorobutanal?
The molecular weight of 4,4,4-Trifluorobutanal is 126.03 g/mol.
Where can I buy 4,4,4-Trifluorobutanal?
You can request a quote for 4,4,4-Trifluorobutanal 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-Trifluorobutanal?
Yes, KEHONG BIO provides custom synthesis services for 4,4,4-Trifluorobutanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.