1,1,1-Trifluoro-2-methylpropan-2-ol
TL;DR: 1,1,1-Trifluoro-2-methylpropan-2-ol (CAS 507-52-8) is a chemical compound with molecular formula C4H7F3O and molecular weight 128.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-2-methylpropan-2-ol
Also Known As: 2-Trifluoromethyl-2-propanol, 1,1,1-Trifluoro-2-methylpropan-2-ol, 2-(Trifluoromethyl)propan-2-ol, 2-(trifluoromethyl)-2-propanol, 1,1,1-trifluoro-2-methyl-2-propanol
| Molecular Formula | C4H7F3O |
|---|---|
| Molecular Weight | 128.04 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.0449 |
| Heavy Atoms | 8 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 507-52-8 |
|---|---|
| SMILES | CC(C)(C(F)(F)F)O |
| InChIKey | OCGWWLDZAFOHGD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1-Trifluoro-2-methylpropan-2-ol (CAS 507-52-8), with molecular formula C4H7F3O and molecular weight 128.04 g/mol. IUPAC: 1,1,1-trifluoro-2-methylpropan-2-ol.
Chemical Property Profile of 1,1,1-Trifluoro-2-methylpropan-2-ol
Property Insights of 1,1,1-Trifluoro-2-methylpropan-2-ol
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trifluoro-2-methylpropan-2-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 1,1,1-Trifluoro-2-methylpropan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-2-methylpropan-2-ol has 1 hydrogen bond donor(s) and 4 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-Trifluoro-2-methylpropan-2-ol?
The CAS number of 1,1,1-Trifluoro-2-methylpropan-2-ol is 507-52-8.
What is the molecular formula of 1,1,1-Trifluoro-2-methylpropan-2-ol?
The molecular formula of 1,1,1-Trifluoro-2-methylpropan-2-ol is C4H7F3O.
What is the molecular weight of 1,1,1-Trifluoro-2-methylpropan-2-ol?
The molecular weight of 1,1,1-Trifluoro-2-methylpropan-2-ol is 128.04 g/mol.
Where can I buy 1,1,1-Trifluoro-2-methylpropan-2-ol?
You can request a quote for 1,1,1-Trifluoro-2-methylpropan-2-ol 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-Trifluoro-2-methylpropan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluoro-2-methylpropan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.