1,3-二氟-2-丙醇
TL;DR: 1,3-二氟-2-丙醇 (CAS 453-13-4) is a chemical compound with molecular formula C3H6F2O and molecular weight 96.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-二氟-2-丙醇
1,3-difluoropropan-2-ol
Also Known As: 1,3-Difluoro-2-propanol, 1,3-Difluoropropan-2-ol, 2-Propanol, 1,3-difluoro-, 1,3-Difluoroisopropanol, Difluoro-2-propanol
| Molecular Formula | C3H6F2O |
|---|---|
| Molecular Weight | 96.04 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 96.03867 |
| Heavy Atoms | 6 |
| Complexity | 28.0 |
Chemical Identifiers
| CAS Number | 453-13-4 |
|---|---|
| SMILES | C(C(CF)O)F |
| InChIKey | PVDLUGWWIOGCNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-二氟-2-丙醇 (CAS 453-13-4), with molecular formula C3H6F2O and molecular weight 96.04 g/mol. IUPAC: 1,3-difluoropropan-2-ol.
Chemical Property Profile of 1,3-二氟-2-丙醇
Property Insights of 1,3-二氟-2-丙醇
The XLogP value of -0.4 indicates that 1,3-二氟-2-丙醇 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 20.2 Ų, 1,3-二氟-2-丙醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-二氟-2-丙醇 has 1 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 1,3-二氟-2-丙醇?
The CAS number of 1,3-二氟-2-丙醇 is 453-13-4.
What is the molecular formula of 1,3-二氟-2-丙醇?
The molecular formula of 1,3-二氟-2-丙醇 is C3H6F2O.
What is the molecular weight of 1,3-二氟-2-丙醇?
The molecular weight of 1,3-二氟-2-丙醇 is 96.04 g/mol.
Where can I buy 1,3-二氟-2-丙醇?
You can request a quote for 1,3-二氟-2-丙醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-二氟-2-丙醇?
Yes, KEHONG BIO provides custom synthesis services for 1,3-二氟-2-丙醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.