1,1,1,3,3,3-Hexafluoropropan-2-one, oxime
TL;DR: 1,1,1,3,3,3-Hexafluoropropan-2-one, oxime (CAS 1645-76-7) is a chemical compound with molecular formula C3HF6NO and molecular weight 181.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)hydroxylamine
Also Known As: hexafluoroacetone oxime, propanone oxime, hexafluoro-, 1,1,1,3,3,3-Hexafluoropropan-2-one, oxime, 1,1,1,3,3,3-Hexafluoroacetone oxime, 1,1,1,3,3,3-hexafluoropropan-2-one oxime
| Molecular Formula | C3HF6NO |
|---|---|
| Molecular Weight | 181.00 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.99623 |
| Heavy Atoms | 11 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 1645-76-7 |
|---|---|
| SMILES | C(=NO)(C(F)(F)F)C(F)(F)F |
| InChIKey | YVQTYCGUGOVSCD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1,3,3,3-Hexafluoropropan-2-one, oxime (CAS 1645-76-7), with molecular formula C3HF6NO and molecular weight 181.00 g/mol. IUPAC: N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)hydroxylamine.
Chemical Property Profile of 1,1,1,3,3,3-Hexafluoropropan-2-one, oxime
Property Insights of 1,1,1,3,3,3-Hexafluoropropan-2-one, oxime
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1,3,3,3-Hexafluoropropan-2-one, oxime. With a topological polar surface area (TPSA) of 32.6 Ų, 1,1,1,3,3,3-Hexafluoropropan-2-one, oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,3,3,3-Hexafluoropropan-2-one, oxime has 1 hydrogen bond donor(s) and 8 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 1,1,1,3,3,3-Hexafluoropropan-2-one, oxime?
The CAS number of 1,1,1,3,3,3-Hexafluoropropan-2-one, oxime is 1645-76-7.
What is the molecular formula of 1,1,1,3,3,3-Hexafluoropropan-2-one, oxime?
The molecular formula of 1,1,1,3,3,3-Hexafluoropropan-2-one, oxime is C3HF6NO.
What is the molecular weight of 1,1,1,3,3,3-Hexafluoropropan-2-one, oxime?
The molecular weight of 1,1,1,3,3,3-Hexafluoropropan-2-one, oxime is 181.00 g/mol.
Where can I buy 1,1,1,3,3,3-Hexafluoropropan-2-one, oxime?
You can request a quote for 1,1,1,3,3,3-Hexafluoropropan-2-one, oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1,3,3,3-Hexafluoropropan-2-one, oxime?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,3,3,3-Hexafluoropropan-2-one, oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.