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

C27H19F3N2O2 — CID 15980733

IUPAC2,2,2-trifluoro-1-(4-phenoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol
SMILESOC(c1ccc(Oc2ccccc2)cc1)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C27H19F3N2O2/c28-27(29,30)26(33,20-11-14-24(15-12-20)34-23-9-5-2-6-10-23)21-13-16-25-19(17-21)18-31-32(25)22-7-3-1-4-8-22/h1-18,33H
InChIKeyXYWFDAUMHPDSKN-UHFFFAOYSA-N
MW460.46 g/mol
LogP6.62
Rot. Bonds5

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

2,2,2-trifluoro-1-(4-phenoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol (PubChem CID 15980733) has the molecular formula C27H19F3N2O2 and a molecular weight of 460.46 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-phenoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-phenoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol
PubChem CID15980733
Molecular FormulaC27H19F3N2O2
Molecular Weight460.46 g/mol
Exact Mass460.14
IUPAC Name2,2,2-trifluoro-1-(4-phenoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol
SMILESOC(c1ccc(Oc2ccccc2)cc1)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C27H19F3N2O2/c28-27(29,30)26(33,20-11-14-24(15-12-20)34-23-9-5-2-6-10-23)21-13-16-25-19(17-21)18-31-32(25)22-7-3-1-4-8-22/h1-18,33H
InChIKeyXYWFDAUMHPDSKN-UHFFFAOYSA-N
XLogP6.62
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.46
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-1-(4-phenoxyphenyl)-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-phenoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(4-phenoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol (CID 15980733) is 2,2,2-trifluoro-1-(4-phenoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-phenoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(4-phenoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol is OC(c1ccc(Oc2ccccc2)cc1)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(4-phenoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol?
The InChIKey is XYWFDAUMHPDSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F3N2O2/c28-27(29,30)26(33,20-11-14-24(15-12-20)34-23-9-5-2-6-10-23)21-13-16-25-19(17-21)18-31-32(25)22-7-3-1-4-8-22/h1-18,33H.
What are the key properties of 2,2,2-trifluoro-1-(4-phenoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol?
2,2,2-trifluoro-1-(4-phenoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol has a molecular weight of 460.46 g/mol, XLogP of 6.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-phenoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol is sourced from PubChem (CID 15980733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).