2,2,2-trifluoro-1-(3-fluoro-4-phenylphenyl)-1-(1-phenylindazol-5-yl)ethanol

C27H18F4N2O — CID 15979409

IUPAC2,2,2-trifluoro-1-(3-fluoro-4-phenylphenyl)-1-(1-phenylindazol-5-yl)ethanol
SMILESOC(c1ccc(-c2ccccc2)c(F)c1)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C27H18F4N2O/c28-24-16-21(11-13-23(24)18-7-3-1-4-8-18)26(34,27(29,30)31)20-12-14-25-19(15-20)17-32-33(25)22-9-5-2-6-10-22/h1-17,34H
InChIKeyUOEVFEYZVQKPDA-UHFFFAOYSA-N
MW462.45 g/mol
LogP6.63
Rot. Bonds4

About 2,2,2-trifluoro-1-(3-fluoro-4-phenylphenyl)-1-(1-phenylindazol-5-yl)ethanol

2,2,2-trifluoro-1-(3-fluoro-4-phenylphenyl)-1-(1-phenylindazol-5-yl)ethanol (PubChem CID 15979409) has the molecular formula C27H18F4N2O and a molecular weight of 462.45 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-fluoro-4-phenylphenyl)-1-(1-phenylindazol-5-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-fluoro-4-phenylphenyl)-1-(1-phenylindazol-5-yl)ethanol
PubChem CID15979409
Molecular FormulaC27H18F4N2O
Molecular Weight462.45 g/mol
Exact Mass462.14
IUPAC Name2,2,2-trifluoro-1-(3-fluoro-4-phenylphenyl)-1-(1-phenylindazol-5-yl)ethanol
SMILESOC(c1ccc(-c2ccccc2)c(F)c1)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C27H18F4N2O/c28-24-16-21(11-13-23(24)18-7-3-1-4-8-18)26(34,27(29,30)31)20-12-14-25-19(15-20)17-32-33(25)22-9-5-2-6-10-22/h1-17,34H
InChIKeyUOEVFEYZVQKPDA-UHFFFAOYSA-N
XLogP6.63
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.45
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-1-(3-fluoro-4-phenylphenyl)-1-(1-phenylindazol-5-yl)ethanol 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 2,2,2-trifluoro-1-(3-fluoro-4-phenylphenyl)-1-(1-phenylindazol-5-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(3-fluoro-4-phenylphenyl)-1-(1-phenylindazol-5-yl)ethanol (CID 15979409) is 2,2,2-trifluoro-1-(3-fluoro-4-phenylphenyl)-1-(1-phenylindazol-5-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-fluoro-4-phenylphenyl)-1-(1-phenylindazol-5-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(3-fluoro-4-phenylphenyl)-1-(1-phenylindazol-5-yl)ethanol is OC(c1ccc(-c2ccccc2)c(F)c1)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(3-fluoro-4-phenylphenyl)-1-(1-phenylindazol-5-yl)ethanol?
The InChIKey is UOEVFEYZVQKPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F4N2O/c28-24-16-21(11-13-23(24)18-7-3-1-4-8-18)26(34,27(29,30)31)20-12-14-25-19(15-20)17-32-33(25)22-9-5-2-6-10-22/h1-17,34H.
What are the key properties of 2,2,2-trifluoro-1-(3-fluoro-4-phenylphenyl)-1-(1-phenylindazol-5-yl)ethanol?
2,2,2-trifluoro-1-(3-fluoro-4-phenylphenyl)-1-(1-phenylindazol-5-yl)ethanol has a molecular weight of 462.45 g/mol, XLogP of 6.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-fluoro-4-phenylphenyl)-1-(1-phenylindazol-5-yl)ethanol is sourced from PubChem (CID 15979409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).