1,1,1-trifluoro-2-(2-prop-2-enylphenyl)propan-2-ol

C12H13F3O — CID 170148397

IUPAC1,1,1-trifluoro-2-(2-prop-2-enylphenyl)propan-2-ol
SMILESC=CCc1ccccc1C(C)(O)C(F)(F)F
InChIInChI=1S/C12H13F3O/c1-3-6-9-7-4-5-8-10(9)11(2,16)12(13,14)15/h3-5,7-8,16H,1,6H2,2H3
InChIKeyWQRXVRZFEJTQFP-UHFFFAOYSA-N
MW230.23 g/mol
LogP3.18
Rot. Bonds3

About 1,1,1-trifluoro-2-(2-prop-2-enylphenyl)propan-2-ol

1,1,1-trifluoro-2-(2-prop-2-enylphenyl)propan-2-ol (PubChem CID 170148397) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(2-prop-2-enylphenyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(2-prop-2-enylphenyl)propan-2-ol
PubChem CID170148397
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name1,1,1-trifluoro-2-(2-prop-2-enylphenyl)propan-2-ol
SMILESC=CCc1ccccc1C(C)(O)C(F)(F)F
InChIInChI=1S/C12H13F3O/c1-3-6-9-7-4-5-8-10(9)11(2,16)12(13,14)15/h3-5,7-8,16H,1,6H2,2H3
InChIKeyWQRXVRZFEJTQFP-UHFFFAOYSA-N
XLogP3.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1,1,1-trifluoro-2-(2-prop-2-enylphenyl)propan-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 1,1,1-trifluoro-2-(2-prop-2-enylphenyl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(2-prop-2-enylphenyl)propan-2-ol (CID 170148397) is 1,1,1-trifluoro-2-(2-prop-2-enylphenyl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(2-prop-2-enylphenyl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(2-prop-2-enylphenyl)propan-2-ol is C=CCc1ccccc1C(C)(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(2-prop-2-enylphenyl)propan-2-ol?
The InChIKey is WQRXVRZFEJTQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O/c1-3-6-9-7-4-5-8-10(9)11(2,16)12(13,14)15/h3-5,7-8,16H,1,6H2,2H3.
What are the key properties of 1,1,1-trifluoro-2-(2-prop-2-enylphenyl)propan-2-ol?
1,1,1-trifluoro-2-(2-prop-2-enylphenyl)propan-2-ol has a molecular weight of 230.23 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(2-prop-2-enylphenyl)propan-2-ol is sourced from PubChem (CID 170148397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).