1,1,1-trifluoro-4-[1-(4-fluorophenyl)indazol-5-yl]-2,3,3-trimethyl-4-phenylbutan-2-ol

C26H24F4N2O — CID 24937098

IUPAC1,1,1-trifluoro-4-[1-(4-fluorophenyl)indazol-5-yl]-2,3,3-trimethyl-4-phenylbutan-2-ol
SMILESCC(C)(C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(O)C(F)(F)F
InChIInChI=1S/C26H24F4N2O/c1-24(2,25(3,33)26(28,29)30)23(17-7-5-4-6-8-17)18-9-14-22-19(15-18)16-31-32(22)21-12-10-20(27)11-13-21/h4-16,23,33H,1-3H3
InChIKeyPYUOWUFFGSWIQD-UHFFFAOYSA-N
MW456.48 g/mol
LogP6.64
Rot. Bonds5

About 1,1,1-trifluoro-4-[1-(4-fluorophenyl)indazol-5-yl]-2,3,3-trimethyl-4-phenylbutan-2-ol

1,1,1-trifluoro-4-[1-(4-fluorophenyl)indazol-5-yl]-2,3,3-trimethyl-4-phenylbutan-2-ol (PubChem CID 24937098) has the molecular formula C26H24F4N2O and a molecular weight of 456.48 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-[1-(4-fluorophenyl)indazol-5-yl]-2,3,3-trimethyl-4-phenylbutan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-[1-(4-fluorophenyl)indazol-5-yl]-2,3,3-trimethyl-4-phenylbutan-2-ol
PubChem CID24937098
Molecular FormulaC26H24F4N2O
Molecular Weight456.48 g/mol
Exact Mass456.18
IUPAC Name1,1,1-trifluoro-4-[1-(4-fluorophenyl)indazol-5-yl]-2,3,3-trimethyl-4-phenylbutan-2-ol
SMILESCC(C)(C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(O)C(F)(F)F
InChIInChI=1S/C26H24F4N2O/c1-24(2,25(3,33)26(28,29)30)23(17-7-5-4-6-8-17)18-9-14-22-19(15-18)16-31-32(22)21-12-10-20(27)11-13-21/h4-16,23,33H,1-3H3
InChIKeyPYUOWUFFGSWIQD-UHFFFAOYSA-N
XLogP6.64
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.48
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-[1-(4-fluorophenyl)indazol-5-yl]-2,3,3-trimethyl-4-phenylbutan-2-ol?
The IUPAC name of 1,1,1-trifluoro-4-[1-(4-fluorophenyl)indazol-5-yl]-2,3,3-trimethyl-4-phenylbutan-2-ol (CID 24937098) is 1,1,1-trifluoro-4-[1-(4-fluorophenyl)indazol-5-yl]-2,3,3-trimethyl-4-phenylbutan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-4-[1-(4-fluorophenyl)indazol-5-yl]-2,3,3-trimethyl-4-phenylbutan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-4-[1-(4-fluorophenyl)indazol-5-yl]-2,3,3-trimethyl-4-phenylbutan-2-ol is CC(C)(C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-[1-(4-fluorophenyl)indazol-5-yl]-2,3,3-trimethyl-4-phenylbutan-2-ol?
The InChIKey is PYUOWUFFGSWIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N2O/c1-24(2,25(3,33)26(28,29)30)23(17-7-5-4-6-8-17)18-9-14-22-19(15-18)16-31-32(22)21-12-10-20(27)11-13-21/h4-16,23,33H,1-3H3.
What are the key properties of 1,1,1-trifluoro-4-[1-(4-fluorophenyl)indazol-5-yl]-2,3,3-trimethyl-4-phenylbutan-2-ol?
1,1,1-trifluoro-4-[1-(4-fluorophenyl)indazol-5-yl]-2,3,3-trimethyl-4-phenylbutan-2-ol has a molecular weight of 456.48 g/mol, XLogP of 6.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-[1-(4-fluorophenyl)indazol-5-yl]-2,3,3-trimethyl-4-phenylbutan-2-ol is sourced from PubChem (CID 24937098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).