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

C25H16F4N2O — CID 15979154

IUPAC2,2,2-trifluoro-1-(4-fluoronaphthalen-1-yl)-1-(1-phenylindazol-5-yl)ethanol
SMILESOC(c1ccc2c(cnn2-c2ccccc2)c1)(c1ccc(F)c2ccccc12)C(F)(F)F
InChIInChI=1S/C25H16F4N2O/c26-22-12-11-21(19-8-4-5-9-20(19)22)24(32,25(27,28)29)17-10-13-23-16(14-17)15-30-31(23)18-6-2-1-3-7-18/h1-15,32H
InChIKeyGOIHQKUMRNFBQG-UHFFFAOYSA-N
MW436.41 g/mol
LogP6.12
Rot. Bonds3

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

2,2,2-trifluoro-1-(4-fluoronaphthalen-1-yl)-1-(1-phenylindazol-5-yl)ethanol (PubChem CID 15979154) has the molecular formula C25H16F4N2O and a molecular weight of 436.41 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-fluoronaphthalen-1-yl)-1-(1-phenylindazol-5-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-fluoronaphthalen-1-yl)-1-(1-phenylindazol-5-yl)ethanol
PubChem CID15979154
Molecular FormulaC25H16F4N2O
Molecular Weight436.41 g/mol
Exact Mass436.12
IUPAC Name2,2,2-trifluoro-1-(4-fluoronaphthalen-1-yl)-1-(1-phenylindazol-5-yl)ethanol
SMILESOC(c1ccc2c(cnn2-c2ccccc2)c1)(c1ccc(F)c2ccccc12)C(F)(F)F
InChIInChI=1S/C25H16F4N2O/c26-22-12-11-21(19-8-4-5-9-20(19)22)24(32,25(27,28)29)17-10-13-23-16(14-17)15-30-31(23)18-6-2-1-3-7-18/h1-15,32H
InChIKeyGOIHQKUMRNFBQG-UHFFFAOYSA-N
XLogP6.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.41
LogP ≤ 56.12
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-fluoronaphthalen-1-yl)-1-(1-phenylindazol-5-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(4-fluoronaphthalen-1-yl)-1-(1-phenylindazol-5-yl)ethanol (CID 15979154) is 2,2,2-trifluoro-1-(4-fluoronaphthalen-1-yl)-1-(1-phenylindazol-5-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-fluoronaphthalen-1-yl)-1-(1-phenylindazol-5-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(4-fluoronaphthalen-1-yl)-1-(1-phenylindazol-5-yl)ethanol is OC(c1ccc2c(cnn2-c2ccccc2)c1)(c1ccc(F)c2ccccc12)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(4-fluoronaphthalen-1-yl)-1-(1-phenylindazol-5-yl)ethanol?
The InChIKey is GOIHQKUMRNFBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F4N2O/c26-22-12-11-21(19-8-4-5-9-20(19)22)24(32,25(27,28)29)17-10-13-23-16(14-17)15-30-31(23)18-6-2-1-3-7-18/h1-15,32H.
What are the key properties of 2,2,2-trifluoro-1-(4-fluoronaphthalen-1-yl)-1-(1-phenylindazol-5-yl)ethanol?
2,2,2-trifluoro-1-(4-fluoronaphthalen-1-yl)-1-(1-phenylindazol-5-yl)ethanol has a molecular weight of 436.41 g/mol, XLogP of 6.12, 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-fluoronaphthalen-1-yl)-1-(1-phenylindazol-5-yl)ethanol is sourced from PubChem (CID 15979154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).