2-Heptanone, 1,7-difluoro-
TL;DR: 2-Heptanone, 1,7-difluoro- (CAS 333-06-2) is a chemical compound with molecular formula C7H12F2O and molecular weight 150.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,7-difluoroheptan-2-one
Also Known As: 1,7-difluoroheptan-2-one, 1,7-Difluoro-2-heptanone, 2-HEPTANONE, 1,7-DIFLUORO-, 2-Heptanone,1,7-difluoro-, 6-Fluorohexanoic acid methyl ester
| Molecular Formula | C7H12F2O |
|---|---|
| Molecular Weight | 150.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 150.08562 |
| Heavy Atoms | 10 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 333-06-2 |
|---|---|
| SMILES | C(CCC(=O)CF)CCF |
| InChIKey | ONBDJQNIAOQQGT-UHFFFAOYSA-N |
Product Overview
2-Heptanone, 1,7-difluoro- (CAS 333-06-2), with molecular formula C7H12F2O and molecular weight 150.09 g/mol. IUPAC: 1,7-difluoroheptan-2-one.
Chemical Property Profile of 2-Heptanone, 1,7-difluoro-
Property Insights of 2-Heptanone, 1,7-difluoro-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Heptanone, 1,7-difluoro-. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Heptanone, 1,7-difluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Heptanone, 1,7-difluoro- has 0 hydrogen bond donor(s) and 3 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 2-Heptanone, 1,7-difluoro-?
The CAS number of 2-Heptanone, 1,7-difluoro- is 333-06-2.
What is the molecular formula of 2-Heptanone, 1,7-difluoro-?
The molecular formula of 2-Heptanone, 1,7-difluoro- is C7H12F2O.
What is the molecular weight of 2-Heptanone, 1,7-difluoro-?
The molecular weight of 2-Heptanone, 1,7-difluoro- is 150.09 g/mol.
Where can I buy 2-Heptanone, 1,7-difluoro-?
You can request a quote for 2-Heptanone, 1,7-difluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Heptanone, 1,7-difluoro-?
Yes, KEHONG BIO provides custom synthesis services for 2-Heptanone, 1,7-difluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.