1-[4-(trifluoromethyl)cyclohexyl]ethanol

C9H15F3O — CID 58413445

IUPAC1-[4-(trifluoromethyl)cyclohexyl]ethanol
SMILESCC(O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H15F3O/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h6-8,13H,2-5H2,1H3
InChIKeyYLYLRJIRWDWXDQ-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.74
Rot. Bonds1

About 1-[4-(trifluoromethyl)cyclohexyl]ethanol

1-[4-(trifluoromethyl)cyclohexyl]ethanol (PubChem CID 58413445) has the molecular formula C9H15F3O and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)cyclohexyl]ethanol
PubChem CID58413445
Molecular FormulaC9H15F3O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name1-[4-(trifluoromethyl)cyclohexyl]ethanol
SMILESCC(O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H15F3O/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h6-8,13H,2-5H2,1H3
InChIKeyYLYLRJIRWDWXDQ-UHFFFAOYSA-N
XLogP2.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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 1-[4-(trifluoromethyl)cyclohexyl]ethanol 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 1-[4-(trifluoromethyl)cyclohexyl]ethanol?
The IUPAC name of 1-[4-(trifluoromethyl)cyclohexyl]ethanol (CID 58413445) is 1-[4-(trifluoromethyl)cyclohexyl]ethanol.
What is the SMILES notation for 1-[4-(trifluoromethyl)cyclohexyl]ethanol?
The canonical SMILES for 1-[4-(trifluoromethyl)cyclohexyl]ethanol is CC(O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(trifluoromethyl)cyclohexyl]ethanol?
The InChIKey is YLYLRJIRWDWXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h6-8,13H,2-5H2,1H3.
What are the key properties of 1-[4-(trifluoromethyl)cyclohexyl]ethanol?
1-[4-(trifluoromethyl)cyclohexyl]ethanol has a molecular weight of 196.21 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)cyclohexyl]ethanol is sourced from PubChem (CID 58413445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).