InChI=1/C5H8F2O/c1-5(2,3-6)4(7)8/h3H2,1-2H
TL;DR: InChI=1/C5H8F2O/c1-5(2,3-6)4(7)8/h3H2,1-2H (CAS 96301-61-0) is a chemical compound with molecular formula C5H8F2O and molecular weight 122.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoro-2,2-dimethylpropanoyl fluoride
Also Known As: 3-fluoro-2,2-dimethylpropanoyl fluoride, 3-fluoro-2,2-dimethyl-propanoyl Fluoride, Propanoylfluoride,3-fluoro-2,2-dimethyl-, InChI=1/C5H8F2O/c1-5(2,3-6)4(7)8/h3H2,1-2H
| Molecular Formula | C5H8F2O |
|---|---|
| Molecular Weight | 122.05 g/mol |
| LogP | 1.4782 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 122.05432 |
| Heavy Atoms | 8 |
| Complexity | 98.60179 |
Chemical Identifiers
| CAS Number | 96301-61-0 |
|---|---|
| SMILES | CC(C)(CF)C(=O)F |
Product Overview
InChI=1/C5H8F2O/c1-5(2,3-6)4(7)8/h3H2,1-2H (CAS 96301-61-0), with molecular formula C5H8F2O and molecular weight 122.05 g/mol. IUPAC: 3-fluoro-2,2-dimethylpropanoyl fluoride.
Chemical Property Profile of InChI=1/C5H8F2O/c1-5(2,3-6)4(7)8/h3H2,1-2H
Property Insights of InChI=1/C5H8F2O/c1-5(2,3-6)4(7)8/h3H2,1-2H
The XLogP value of 1.4782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for InChI=1/C5H8F2O/c1-5(2,3-6)4(7)8/h3H2,1-2H. With a topological polar surface area (TPSA) of 17.07 Ų, InChI=1/C5H8F2O/c1-5(2,3-6)4(7)8/h3H2,1-2H exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, InChI=1/C5H8F2O/c1-5(2,3-6)4(7)8/h3H2,1-2H 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 InChI=1/C5H8F2O/c1-5(2,3-6)4(7)8/h3H2,1-2H?
The CAS number of InChI=1/C5H8F2O/c1-5(2,3-6)4(7)8/h3H2,1-2H is 96301-61-0.
What is the molecular formula of InChI=1/C5H8F2O/c1-5(2,3-6)4(7)8/h3H2,1-2H?
The molecular formula of InChI=1/C5H8F2O/c1-5(2,3-6)4(7)8/h3H2,1-2H is C5H8F2O.
What is the molecular weight of InChI=1/C5H8F2O/c1-5(2,3-6)4(7)8/h3H2,1-2H?
The molecular weight of InChI=1/C5H8F2O/c1-5(2,3-6)4(7)8/h3H2,1-2H is 122.05 g/mol.
Where can I buy InChI=1/C5H8F2O/c1-5(2,3-6)4(7)8/h3H2,1-2H?
You can request a quote for InChI=1/C5H8F2O/c1-5(2,3-6)4(7)8/h3H2,1-2H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for InChI=1/C5H8F2O/c1-5(2,3-6)4(7)8/h3H2,1-2H?
Yes, KEHONG BIO provides custom synthesis services for InChI=1/C5H8F2O/c1-5(2,3-6)4(7)8/h3H2,1-2H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.