3-hydroxy-3-phenyl-6-(trifluoromethyl)-1H-indol-2-one

C15H10F3NO2 — CID 11066281

IUPAC3-hydroxy-3-phenyl-6-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2cc(C(F)(F)F)ccc2C1(O)c1ccccc1
InChIInChI=1S/C15H10F3NO2/c16-15(17,18)10-6-7-11-12(8-10)19-13(20)14(11,21)9-4-2-1-3-5-9/h1-8,21H,(H,19,20)
InChIKeySYXABDNWLIYAGX-UHFFFAOYSA-N
MW293.24 g/mol
LogP2.89
Rot. Bonds1

About 3-hydroxy-3-phenyl-6-(trifluoromethyl)-1H-indol-2-one

3-hydroxy-3-phenyl-6-(trifluoromethyl)-1H-indol-2-one (PubChem CID 11066281) has the molecular formula C15H10F3NO2 and a molecular weight of 293.24 g/mol. Its IUPAC name is 3-hydroxy-3-phenyl-6-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-phenyl-6-(trifluoromethyl)-1H-indol-2-one
PubChem CID11066281
Molecular FormulaC15H10F3NO2
Molecular Weight293.24 g/mol
Exact Mass293.07
IUPAC Name3-hydroxy-3-phenyl-6-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2cc(C(F)(F)F)ccc2C1(O)c1ccccc1
InChIInChI=1S/C15H10F3NO2/c16-15(17,18)10-6-7-11-12(8-10)19-13(20)14(11,21)9-4-2-1-3-5-9/h1-8,21H,(H,19,20)
InChIKeySYXABDNWLIYAGX-UHFFFAOYSA-N
XLogP2.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-phenyl-6-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-phenyl-6-(trifluoromethyl)-1H-indol-2-one (CID 11066281) is 3-hydroxy-3-phenyl-6-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-phenyl-6-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-phenyl-6-(trifluoromethyl)-1H-indol-2-one is O=C1Nc2cc(C(F)(F)F)ccc2C1(O)c1ccccc1.
What is the InChIKey of 3-hydroxy-3-phenyl-6-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is SYXABDNWLIYAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO2/c16-15(17,18)10-6-7-11-12(8-10)19-13(20)14(11,21)9-4-2-1-3-5-9/h1-8,21H,(H,19,20).
What are the key properties of 3-hydroxy-3-phenyl-6-(trifluoromethyl)-1H-indol-2-one?
3-hydroxy-3-phenyl-6-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 293.24 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-phenyl-6-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 11066281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).