2,2,2-Trifluoro-1,1-ethanediol
TL;DR: 2,2,2-Trifluoro-1,1-ethanediol (CAS 421-53-4) is a chemical compound with molecular formula C2H3F3O2 and molecular weight 116.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethane-1,1-diol
Also Known As: Trifluoroacetaldehyde hydrate, Fluoral hydrate, Tfaih, 2,2,2-trifluoroethane-1,1-diol, Fluoral, hydrate
| Molecular Formula | C2H3F3O2 |
|---|---|
| Molecular Weight | 116.01 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 116.008514 |
| Heavy Atoms | 7 |
| Complexity | 56.0 |
Chemical Identifiers
| CAS Number | 421-53-4 |
|---|---|
| SMILES | C(C(F)(F)F)(O)O |
| InChIKey | VGJWVEYTYIBXIA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,2-Trifluoro-1,1-ethanediol (CAS 421-53-4), with molecular formula C2H3F3O2 and molecular weight 116.01 g/mol. IUPAC: 2,2,2-trifluoroethane-1,1-diol.
Chemical Property Profile of 2,2,2-Trifluoro-1,1-ethanediol
Property Insights of 2,2,2-Trifluoro-1,1-ethanediol
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Trifluoro-1,1-ethanediol. With a topological polar surface area (TPSA) of 40.5 Ų, 2,2,2-Trifluoro-1,1-ethanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trifluoro-1,1-ethanediol has 2 hydrogen bond donor(s) and 5 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 2,2,2-Trifluoro-1,1-ethanediol?
The CAS number of 2,2,2-Trifluoro-1,1-ethanediol is 421-53-4.
What is the molecular formula of 2,2,2-Trifluoro-1,1-ethanediol?
The molecular formula of 2,2,2-Trifluoro-1,1-ethanediol is C2H3F3O2.
What is the molecular weight of 2,2,2-Trifluoro-1,1-ethanediol?
The molecular weight of 2,2,2-Trifluoro-1,1-ethanediol is 116.01 g/mol.
Where can I buy 2,2,2-Trifluoro-1,1-ethanediol?
You can request a quote for 2,2,2-Trifluoro-1,1-ethanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trifluoro-1,1-ethanediol?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trifluoro-1,1-ethanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.