2',5'-Difluoropropiophenone
TL;DR: 2',5'-Difluoropropiophenone (CAS 29112-90-1) is a chemical compound with molecular formula C9H8F2O and molecular weight 170.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5-difluorophenyl)propan-1-one
Also Known As: 2',5'-Difluoropropiophenone, 1-(2,5-difluorophenyl)propan-1-one, 2,5-Difluoropropiophenone, fr df bv2, 1-Propanone, 1-(2,5-difluorophenyl)-
| Molecular Formula | C9H8F2O |
|---|---|
| Molecular Weight | 170.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.05432 |
| Heavy Atoms | 12 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 29112-90-1 |
|---|---|
| SMILES | CCC(=O)C1=C(C=CC(=C1)F)F |
| InChIKey | BXLHXHGCQFJTLA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2',5'-Difluoropropiophenone (CAS 29112-90-1), with molecular formula C9H8F2O and molecular weight 170.05 g/mol. IUPAC: 1-(2,5-difluorophenyl)propan-1-one.
Chemical Property Profile of 2',5'-Difluoropropiophenone
Property Insights of 2',5'-Difluoropropiophenone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2',5'-Difluoropropiophenone. With a topological polar surface area (TPSA) of 17.1 Ų, 2',5'-Difluoropropiophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2',5'-Difluoropropiophenone 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',5'-Difluoropropiophenone?
The CAS number of 2',5'-Difluoropropiophenone is 29112-90-1.
What is the molecular formula of 2',5'-Difluoropropiophenone?
The molecular formula of 2',5'-Difluoropropiophenone is C9H8F2O.
What is the molecular weight of 2',5'-Difluoropropiophenone?
The molecular weight of 2',5'-Difluoropropiophenone is 170.05 g/mol.
Where can I buy 2',5'-Difluoropropiophenone?
You can request a quote for 2',5'-Difluoropropiophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2',5'-Difluoropropiophenone?
Yes, KEHONG BIO provides custom synthesis services for 2',5'-Difluoropropiophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.