3-hydroxy-1-phenyl-3-(trifluoromethyl)indol-2-one

C15H10F3NO2 — CID 3289664

IUPAC3-hydroxy-1-phenyl-3-(trifluoromethyl)indol-2-one
SMILESO=C1N(c2ccccc2)c2ccccc2C1(O)C(F)(F)F
InChIInChI=1S/C15H10F3NO2/c16-15(17,18)14(21)11-8-4-5-9-12(11)19(13(14)20)10-6-2-1-3-7-10/h1-9,21H
InChIKeyLPMSDVVUOUVOMW-UHFFFAOYSA-N
MW293.24 g/mol
LogP3.11
Rot. Bonds1

About 3-hydroxy-1-phenyl-3-(trifluoromethyl)indol-2-one

3-hydroxy-1-phenyl-3-(trifluoromethyl)indol-2-one (PubChem CID 3289664) has the molecular formula C15H10F3NO2 and a molecular weight of 293.24 g/mol. Its IUPAC name is 3-hydroxy-1-phenyl-3-(trifluoromethyl)indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-phenyl-3-(trifluoromethyl)indol-2-one
PubChem CID3289664
Molecular FormulaC15H10F3NO2
Molecular Weight293.24 g/mol
Exact Mass293.07
IUPAC Name3-hydroxy-1-phenyl-3-(trifluoromethyl)indol-2-one
SMILESO=C1N(c2ccccc2)c2ccccc2C1(O)C(F)(F)F
InChIInChI=1S/C15H10F3NO2/c16-15(17,18)14(21)11-8-4-5-9-12(11)19(13(14)20)10-6-2-1-3-7-10/h1-9,21H
InChIKeyLPMSDVVUOUVOMW-UHFFFAOYSA-N
XLogP3.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-phenyl-3-(trifluoromethyl)indol-2-one?
The IUPAC name of 3-hydroxy-1-phenyl-3-(trifluoromethyl)indol-2-one (CID 3289664) is 3-hydroxy-1-phenyl-3-(trifluoromethyl)indol-2-one.
What is the SMILES notation for 3-hydroxy-1-phenyl-3-(trifluoromethyl)indol-2-one?
The canonical SMILES for 3-hydroxy-1-phenyl-3-(trifluoromethyl)indol-2-one is O=C1N(c2ccccc2)c2ccccc2C1(O)C(F)(F)F.
What is the InChIKey of 3-hydroxy-1-phenyl-3-(trifluoromethyl)indol-2-one?
The InChIKey is LPMSDVVUOUVOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO2/c16-15(17,18)14(21)11-8-4-5-9-12(11)19(13(14)20)10-6-2-1-3-7-10/h1-9,21H.
What are the key properties of 3-hydroxy-1-phenyl-3-(trifluoromethyl)indol-2-one?
3-hydroxy-1-phenyl-3-(trifluoromethyl)indol-2-one has a molecular weight of 293.24 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-phenyl-3-(trifluoromethyl)indol-2-one is sourced from PubChem (CID 3289664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).