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

C22H16F4N2O — CID 15979411

IUPAC2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)-1-(1-phenylindazol-5-yl)ethanol
SMILESCc1cc(F)ccc1C(O)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C22H16F4N2O/c1-14-11-17(23)8-9-19(14)21(29,22(24,25)26)16-7-10-20-15(12-16)13-27-28(20)18-5-3-2-4-6-18/h2-13,29H,1H3
InChIKeyCLJXSOFPGYARAE-UHFFFAOYSA-N
MW400.38 g/mol
LogP5.27
Rot. Bonds3

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

2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)-1-(1-phenylindazol-5-yl)ethanol (PubChem CID 15979411) has the molecular formula C22H16F4N2O and a molecular weight of 400.38 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)-1-(1-phenylindazol-5-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)-1-(1-phenylindazol-5-yl)ethanol
PubChem CID15979411
Molecular FormulaC22H16F4N2O
Molecular Weight400.38 g/mol
Exact Mass400.12
IUPAC Name2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)-1-(1-phenylindazol-5-yl)ethanol
SMILESCc1cc(F)ccc1C(O)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C22H16F4N2O/c1-14-11-17(23)8-9-19(14)21(29,22(24,25)26)16-7-10-20-15(12-16)13-27-28(20)18-5-3-2-4-6-18/h2-13,29H,1H3
InChIKeyCLJXSOFPGYARAE-UHFFFAOYSA-N
XLogP5.27
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.38
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)-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-(4-fluoro-2-methylphenyl)-1-(1-phenylindazol-5-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)-1-(1-phenylindazol-5-yl)ethanol (CID 15979411) is 2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)-1-(1-phenylindazol-5-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)-1-(1-phenylindazol-5-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)-1-(1-phenylindazol-5-yl)ethanol is Cc1cc(F)ccc1C(O)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)-1-(1-phenylindazol-5-yl)ethanol?
The InChIKey is CLJXSOFPGYARAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N2O/c1-14-11-17(23)8-9-19(14)21(29,22(24,25)26)16-7-10-20-15(12-16)13-27-28(20)18-5-3-2-4-6-18/h2-13,29H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)-1-(1-phenylindazol-5-yl)ethanol?
2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)-1-(1-phenylindazol-5-yl)ethanol has a molecular weight of 400.38 g/mol, XLogP of 5.27, 3 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-(4-fluoro-2-methylphenyl)-1-(1-phenylindazol-5-yl)ethanol is sourced from PubChem (CID 15979411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).