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

C21H14F4N2O — CID 15980247

IUPAC2,2,2-trifluoro-1-(4-fluorophenyl)-1-(1-phenylindazol-5-yl)ethanol
SMILESOC(c1ccc(F)cc1)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C21H14F4N2O/c22-17-9-6-15(7-10-17)20(28,21(23,24)25)16-8-11-19-14(12-16)13-26-27(19)18-4-2-1-3-5-18/h1-13,28H
InChIKeyKPFCPJUYGHIIOC-UHFFFAOYSA-N
MW386.35 g/mol
LogP4.96
Rot. Bonds3

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

2,2,2-trifluoro-1-(4-fluorophenyl)-1-(1-phenylindazol-5-yl)ethanol (PubChem CID 15980247) has the molecular formula C21H14F4N2O and a molecular weight of 386.35 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-fluorophenyl)-1-(1-phenylindazol-5-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-fluorophenyl)-1-(1-phenylindazol-5-yl)ethanol
PubChem CID15980247
Molecular FormulaC21H14F4N2O
Molecular Weight386.35 g/mol
Exact Mass386.10
IUPAC Name2,2,2-trifluoro-1-(4-fluorophenyl)-1-(1-phenylindazol-5-yl)ethanol
SMILESOC(c1ccc(F)cc1)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C21H14F4N2O/c22-17-9-6-15(7-10-17)20(28,21(23,24)25)16-8-11-19-14(12-16)13-26-27(19)18-4-2-1-3-5-18/h1-13,28H
InChIKeyKPFCPJUYGHIIOC-UHFFFAOYSA-N
XLogP4.96
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.35
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-fluorophenyl)-1-(1-phenylindazol-5-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(4-fluorophenyl)-1-(1-phenylindazol-5-yl)ethanol (CID 15980247) is 2,2,2-trifluoro-1-(4-fluorophenyl)-1-(1-phenylindazol-5-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-fluorophenyl)-1-(1-phenylindazol-5-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(4-fluorophenyl)-1-(1-phenylindazol-5-yl)ethanol is OC(c1ccc(F)cc1)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(4-fluorophenyl)-1-(1-phenylindazol-5-yl)ethanol?
The InChIKey is KPFCPJUYGHIIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N2O/c22-17-9-6-15(7-10-17)20(28,21(23,24)25)16-8-11-19-14(12-16)13-26-27(19)18-4-2-1-3-5-18/h1-13,28H.
What are the key properties of 2,2,2-trifluoro-1-(4-fluorophenyl)-1-(1-phenylindazol-5-yl)ethanol?
2,2,2-trifluoro-1-(4-fluorophenyl)-1-(1-phenylindazol-5-yl)ethanol has a molecular weight of 386.35 g/mol, XLogP of 4.96, 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-fluorophenyl)-1-(1-phenylindazol-5-yl)ethanol is sourced from PubChem (CID 15980247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).