2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-phenylindazol-5-yl)ethanol

C23H16F3N3O — CID 15980900

IUPAC2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-phenylindazol-5-yl)ethanol
SMILESOC(c1ccc2c(cnn2-c2ccccc2)c1)(c1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C23H16F3N3O/c24-23(25,26)22(30,19-14-27-20-9-5-4-8-18(19)20)16-10-11-21-15(12-16)13-28-29(21)17-6-2-1-3-7-17/h1-14,27,30H
InChIKeyIGAAWOAYZVFYMT-UHFFFAOYSA-N
MW407.40 g/mol
LogP5.30
Rot. Bonds3

About 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-phenylindazol-5-yl)ethanol

2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-phenylindazol-5-yl)ethanol (PubChem CID 15980900) has the molecular formula C23H16F3N3O and a molecular weight of 407.40 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-phenylindazol-5-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-phenylindazol-5-yl)ethanol
PubChem CID15980900
Molecular FormulaC23H16F3N3O
Molecular Weight407.40 g/mol
Exact Mass407.12
IUPAC Name2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-phenylindazol-5-yl)ethanol
SMILESOC(c1ccc2c(cnn2-c2ccccc2)c1)(c1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C23H16F3N3O/c24-23(25,26)22(30,19-14-27-20-9-5-4-8-18(19)20)16-10-11-21-15(12-16)13-28-29(21)17-6-2-1-3-7-17/h1-14,27,30H
InChIKeyIGAAWOAYZVFYMT-UHFFFAOYSA-N
XLogP5.30
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.40
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-phenylindazol-5-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-phenylindazol-5-yl)ethanol (CID 15980900) is 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-phenylindazol-5-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-phenylindazol-5-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-phenylindazol-5-yl)ethanol is OC(c1ccc2c(cnn2-c2ccccc2)c1)(c1c[nH]c2ccccc12)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-phenylindazol-5-yl)ethanol?
The InChIKey is IGAAWOAYZVFYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O/c24-23(25,26)22(30,19-14-27-20-9-5-4-8-18(19)20)16-10-11-21-15(12-16)13-28-29(21)17-6-2-1-3-7-17/h1-14,27,30H.
What are the key properties of 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-phenylindazol-5-yl)ethanol?
2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-phenylindazol-5-yl)ethanol has a molecular weight of 407.40 g/mol, XLogP of 5.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-phenylindazol-5-yl)ethanol is sourced from PubChem (CID 15980900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).