3-Bromo-1,1,1-trifluorobutan-2-one
TL;DR: 3-Bromo-1,1,1-trifluorobutan-2-one (CAS 382-01-4) is a chemical compound with molecular formula C4H4BrF3O and molecular weight 203.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-1,1,1-trifluorobutan-2-one
Also Known As: 3-bromo-1,1,1-trifluorobutan-2-one, 3-Bromo-1,1,1-trifluoro-2-butanone, 2-Butanone, 3-bromo-1,1,1-trifluoro-, 3-Bromo-1,1,1-trifluoroacetone, 3-bromo-1,1,1-trifluoro-butan-2-one
| Molecular Formula | C4H4BrF3O |
|---|---|
| Molecular Weight | 203.94 g/mol |
| LogP | 1.9012 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.93976 |
| Heavy Atoms | 9 |
| Complexity | 117.47138 |
Chemical Identifiers
| CAS Number | 382-01-4 |
|---|---|
| SMILES | CC(C(=O)C(F)(F)F)Br |
Product Overview
3-Bromo-1,1,1-trifluorobutan-2-one (CAS 382-01-4), with molecular formula C4H4BrF3O and molecular weight 203.94 g/mol. IUPAC: 3-bromo-1,1,1-trifluorobutan-2-one.
Chemical Property Profile of 3-Bromo-1,1,1-trifluorobutan-2-one
Property Insights of 3-Bromo-1,1,1-trifluorobutan-2-one
The XLogP value of 1.9012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-1,1,1-trifluorobutan-2-one. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Bromo-1,1,1-trifluorobutan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-1,1,1-trifluorobutan-2-one 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 3-Bromo-1,1,1-trifluorobutan-2-one?
The CAS number of 3-Bromo-1,1,1-trifluorobutan-2-one is 382-01-4.
What is the molecular formula of 3-Bromo-1,1,1-trifluorobutan-2-one?
The molecular formula of 3-Bromo-1,1,1-trifluorobutan-2-one is C4H4BrF3O.
What is the molecular weight of 3-Bromo-1,1,1-trifluorobutan-2-one?
The molecular weight of 3-Bromo-1,1,1-trifluorobutan-2-one is 203.94 g/mol.
Where can I buy 3-Bromo-1,1,1-trifluorobutan-2-one?
You can request a quote for 3-Bromo-1,1,1-trifluorobutan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-1,1,1-trifluorobutan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-1,1,1-trifluorobutan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.