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

C9H6F3NO2 — CID 2801696

IUPAC3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(O)C(F)(F)F
InChIInChI=1S/C9H6F3NO2/c10-9(11,12)8(15)5-3-1-2-4-6(5)13-7(8)14/h1-4,15H,(H,13,14)
InChIKeyGDDKVRXIZHLJJU-UHFFFAOYSA-N
MW217.15 g/mol
LogP1.39
Rot. Bonds

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

3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one (PubChem CID 2801696) has the molecular formula C9H6F3NO2 and a molecular weight of 217.15 g/mol. Its IUPAC name is 3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one
PubChem CID2801696
Molecular FormulaC9H6F3NO2
Molecular Weight217.15 g/mol
Exact Mass217.04
IUPAC Name3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(O)C(F)(F)F
InChIInChI=1S/C9H6F3NO2/c10-9(11,12)8(15)5-3-1-2-4-6(5)13-7(8)14/h1-4,15H,(H,13,14)
InChIKeyGDDKVRXIZHLJJU-UHFFFAOYSA-N
XLogP1.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one (CID 2801696) is 3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one is O=C1Nc2ccccc2C1(O)C(F)(F)F.
What is the InChIKey of 3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is GDDKVRXIZHLJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NO2/c10-9(11,12)8(15)5-3-1-2-4-6(5)13-7(8)14/h1-4,15H,(H,13,14).
What are the key properties of 3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one?
3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 217.15 g/mol, XLogP of 1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 2801696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).