3,5-Bis(trifluoromethyl)cyclohexane-1-carboxylic acid
TL;DR: 3,5-Bis(trifluoromethyl)cyclohexane-1-carboxylic acid (CAS 117186-04-6) is a chemical compound with molecular formula C9H10F6O2 and molecular weight 264.0585 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-bis(trifluoromethyl)cyclohexane-1-carboxylic acid
Also Known As: Maybridge1_006321, 3,5-bis(trifluoromethyl)cyclohexane-1-carboxylic acid, 3,5-di(trifluoromethyl)cyclohexane-1-carboxylic acid, 879-648-9
Technical Specifications
| Molecular Formula | C9H10F6O2 |
| Molecular Weight | 264.0585 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.0585 Da |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
| SMILES | C1C(CC(CC1C(F)(F)F)C(F)(F)F)C(=O)O |
| InChIKey | VKWKCLKUDZHHIX-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Bis(trifluoromethyl)cyclohexane-1-carboxylic acid
Property Insights of 3,5-Bis(trifluoromethyl)cyclohexane-1-carboxylic acid
The XLogP value of 3.3 indicates that 3,5-Bis(trifluoromethyl)cyclohexane-1-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3,5-Bis(trifluoromethyl)cyclohexane-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(trifluoromethyl)cyclohexane-1-carboxylic acid 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
What is the CAS number of 3,5-Bis(trifluoromethyl)cyclohexane-1-carboxylic acid?
The CAS number of 3,5-Bis(trifluoromethyl)cyclohexane-1-carboxylic acid is 117186-04-6.
What is the molecular formula of 3,5-Bis(trifluoromethyl)cyclohexane-1-carboxylic acid?
The molecular formula of 3,5-Bis(trifluoromethyl)cyclohexane-1-carboxylic acid is C9H10F6O2.
What is the molecular weight of 3,5-Bis(trifluoromethyl)cyclohexane-1-carboxylic acid?
The molecular weight of 3,5-Bis(trifluoromethyl)cyclohexane-1-carboxylic acid is 264.0585 g/mol.
Where can I buy 3,5-Bis(trifluoromethyl)cyclohexane-1-carboxylic acid?
You can request a quote for 3,5-Bis(trifluoromethyl)cyclohexane-1-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Bis(trifluoromethyl)cyclohexane-1-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3,5-Bis(trifluoromethyl)cyclohexane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.