3,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-ol

C9H15F3O — CID 64737726

IUPAC3,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCC1CC(C)CC(O)(C(F)(F)F)C1
InChIInChI=1S/C9H15F3O/c1-6-3-7(2)5-8(13,4-6)9(10,11)12/h6-7,13H,3-5H2,1-2H3
InChIKeyOGRIYPKUWFZDPQ-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.74
Rot. Bonds

About 3,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-ol

3,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 64737726) has the molecular formula C9H15F3O and a molecular weight of 196.21 g/mol. Its IUPAC name is 3,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-ol
PubChem CID64737726
Molecular FormulaC9H15F3O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name3,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCC1CC(C)CC(O)(C(F)(F)F)C1
InChIInChI=1S/C9H15F3O/c1-6-3-7(2)5-8(13,4-6)9(10,11)12/h6-7,13H,3-5H2,1-2H3
InChIKeyOGRIYPKUWFZDPQ-UHFFFAOYSA-N
XLogP2.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-ol (CID 64737726) is 3,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-ol is CC1CC(C)CC(O)(C(F)(F)F)C1.
What is the InChIKey of 3,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is OGRIYPKUWFZDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O/c1-6-3-7(2)5-8(13,4-6)9(10,11)12/h6-7,13H,3-5H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-ol?
3,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 196.21 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 64737726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).