6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol

C8H9F3O — CID 149038918

IUPAC6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol
SMILESCC1CC(C(F)(F)F)=CC=C1O
InChIInChI=1S/C8H9F3O/c1-5-4-6(8(9,10)11)2-3-7(5)12/h2-3,5,12H,4H2,1H3
InChIKeyQHEIYXNQSKGQJO-UHFFFAOYSA-N
MW178.15 g/mol
LogP2.96
Rot. Bonds

About 6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol

6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol (PubChem CID 149038918) has the molecular formula C8H9F3O and a molecular weight of 178.15 g/mol. Its IUPAC name is 6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol
PubChem CID149038918
Molecular FormulaC8H9F3O
Molecular Weight178.15 g/mol
Exact Mass178.06
IUPAC Name6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol
SMILESCC1CC(C(F)(F)F)=CC=C1O
InChIInChI=1S/C8H9F3O/c1-5-4-6(8(9,10)11)2-3-7(5)12/h2-3,5,12H,4H2,1H3
InChIKeyQHEIYXNQSKGQJO-UHFFFAOYSA-N
XLogP2.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-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 6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol (CID 149038918) is 6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol is CC1CC(C(F)(F)F)=CC=C1O.
What is the InChIKey of 6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol?
The InChIKey is QHEIYXNQSKGQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3O/c1-5-4-6(8(9,10)11)2-3-7(5)12/h2-3,5,12H,4H2,1H3.
What are the key properties of 6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol?
6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol has a molecular weight of 178.15 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 149038918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).