[5-cyclopropyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol

C11H13F3O — CID 134549371

IUPAC[5-cyclopropyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol
SMILESOCC1=CC=C(C(F)(F)F)C(C2CC2)C1
InChIInChI=1S/C11H13F3O/c12-11(13,14)10-4-1-7(6-15)5-9(10)8-2-3-8/h1,4,8-9,15H,2-3,5-6H2
InChIKeyRFFIMGJUMCAQJW-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.82
Rot. Bonds2

About [5-cyclopropyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol

[5-cyclopropyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol (PubChem CID 134549371) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is [5-cyclopropyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol.

Molecular Properties

Compound Name[5-cyclopropyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol
PubChem CID134549371
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name[5-cyclopropyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol
SMILESOCC1=CC=C(C(F)(F)F)C(C2CC2)C1
InChIInChI=1S/C11H13F3O/c12-11(13,14)10-4-1-7(6-15)5-9(10)8-2-3-8/h1,4,8-9,15H,2-3,5-6H2
InChIKeyRFFIMGJUMCAQJW-UHFFFAOYSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [5-cyclopropyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol 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 [5-cyclopropyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol?
The IUPAC name of [5-cyclopropyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol (CID 134549371) is [5-cyclopropyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol.
What is the SMILES notation for [5-cyclopropyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol?
The canonical SMILES for [5-cyclopropyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol is OCC1=CC=C(C(F)(F)F)C(C2CC2)C1.
What is the InChIKey of [5-cyclopropyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol?
The InChIKey is RFFIMGJUMCAQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O/c12-11(13,14)10-4-1-7(6-15)5-9(10)8-2-3-8/h1,4,8-9,15H,2-3,5-6H2.
What are the key properties of [5-cyclopropyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol?
[5-cyclopropyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol has a molecular weight of 218.22 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol is sourced from PubChem (CID 134549371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).