(2S)-3-(2,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol

C11H13F3O — CID 14872289

IUPAC(2S)-3-(2,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol
SMILESCc1ccc(C)c(C[C@H](O)C(F)(F)F)c1
InChIInChI=1S/C11H13F3O/c1-7-3-4-8(2)9(5-7)6-10(15)11(12,13)14/h3-5,10,15H,6H2,1-2H3/t10-/m0/s1
InChIKeyGFTVSAFMVWBXDV-JTQLQIEISA-N
MW218.22 g/mol
LogP2.77
Rot. Bonds2

About (2S)-3-(2,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol

(2S)-3-(2,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 14872289) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is (2S)-3-(2,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-3-(2,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol
PubChem CID14872289
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name(2S)-3-(2,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol
SMILESCc1ccc(C)c(C[C@H](O)C(F)(F)F)c1
InChIInChI=1S/C11H13F3O/c1-7-3-4-8(2)9(5-7)6-10(15)11(12,13)14/h3-5,10,15H,6H2,1-2H3/t10-/m0/s1
InChIKeyGFTVSAFMVWBXDV-JTQLQIEISA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-3-(2,5-dimethylphenyl)-1,1,1-trifluoropropan-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 (2S)-3-(2,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2S)-3-(2,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol (CID 14872289) is (2S)-3-(2,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2S)-3-(2,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2S)-3-(2,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol is Cc1ccc(C)c(C[C@H](O)C(F)(F)F)c1.
What is the InChIKey of (2S)-3-(2,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is GFTVSAFMVWBXDV-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13F3O/c1-7-3-4-8(2)9(5-7)6-10(15)11(12,13)14/h3-5,10,15H,6H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-3-(2,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol?
(2S)-3-(2,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 218.22 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 14872289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).