1-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentan-2-ol

C12H17F3O — CID 71163686

IUPAC1-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentan-2-ol
SMILESCCCC(O)CC1C=C(C(F)(F)F)C=CC1
InChIInChI=1S/C12H17F3O/c1-2-4-11(16)8-9-5-3-6-10(7-9)12(13,14)15/h3,6-7,9,11,16H,2,4-5,8H2,1H3
InChIKeyLUHHZMAZMZDIPP-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.60
Rot. Bonds4

About 1-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentan-2-ol

1-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentan-2-ol (PubChem CID 71163686) has the molecular formula C12H17F3O and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentan-2-ol.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentan-2-ol
PubChem CID71163686
Molecular FormulaC12H17F3O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name1-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentan-2-ol
SMILESCCCC(O)CC1C=C(C(F)(F)F)C=CC1
InChIInChI=1S/C12H17F3O/c1-2-4-11(16)8-9-5-3-6-10(7-9)12(13,14)15/h3,6-7,9,11,16H,2,4-5,8H2,1H3
InChIKeyLUHHZMAZMZDIPP-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentan-2-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 1-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentan-2-ol?
The IUPAC name of 1-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentan-2-ol (CID 71163686) is 1-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentan-2-ol.
What is the SMILES notation for 1-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentan-2-ol?
The canonical SMILES for 1-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentan-2-ol is CCCC(O)CC1C=C(C(F)(F)F)C=CC1.
What is the InChIKey of 1-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentan-2-ol?
The InChIKey is LUHHZMAZMZDIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3O/c1-2-4-11(16)8-9-5-3-6-10(7-9)12(13,14)15/h3,6-7,9,11,16H,2,4-5,8H2,1H3.
What are the key properties of 1-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentan-2-ol?
1-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentan-2-ol has a molecular weight of 234.26 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentan-2-ol is sourced from PubChem (CID 71163686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).