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

C10H8F3NO2 — CID 10900459

IUPAC3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
SMILESCN1C(=O)C(O)(C(F)(F)F)c2ccccc21
InChIInChI=1S/C10H8F3NO2/c1-14-7-5-3-2-4-6(7)9(16,8(14)15)10(11,12)13/h2-5,16H,1H3
InChIKeyUMBXVOOWLXWEHO-UHFFFAOYSA-N
MW231.17 g/mol
LogP1.41
Rot. Bonds

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

3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one (PubChem CID 10900459) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
PubChem CID10900459
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
SMILESCN1C(=O)C(O)(C(F)(F)F)c2ccccc21
InChIInChI=1S/C10H8F3NO2/c1-14-7-5-3-2-4-6(7)9(16,8(14)15)10(11,12)13/h2-5,16H,1H3
InChIKeyUMBXVOOWLXWEHO-UHFFFAOYSA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Dihydro-3-hydroxy-3-(2-oxopropyl)-2H-indol-2-one
CID 36460
3-Hydroxy-3-methyloxindole
CID 151066
Dioxindole
CID 6097
3-Hydroxy-3-phenyl-1,3-dihydroindol-2-one
CID 15806
(-)-3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one
CID 11658413
3-Hydroxy-3-(trifluoromethyl)indolin-2-one
CID 2801696
3-Allyl-3-hydroxy-1,3-dihydro-indol-2-one
CID 646528
Mls003115172
CID 314749
5-Bromo-1-methyl-3-(trifluoromethyl)-3-hydroxyindoline-2-one
CID 24997208
3-Hydroxy-1-methyl-3-(2-oxo-cycloheptyl)-1,3-dihydro-indol-2-one
CID 3127024
3-hydroxy-3-(3-methylpiperidin-1-yl)-7-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one
CID 22332436
3-Hydroxy-1-phenyl-3-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one
CID 3289664

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one?
The IUPAC name of 3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one (CID 10900459) is 3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one.
What is the SMILES notation for 3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one?
The canonical SMILES for 3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one is CN1C(=O)C(O)(C(F)(F)F)c2ccccc21.
What is the InChIKey of 3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one?
The InChIKey is UMBXVOOWLXWEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c1-14-7-5-3-2-4-6(7)9(16,8(14)15)10(11,12)13/h2-5,16H,1H3.
What are the key properties of 3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one?
3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one has a molecular weight of 231.17 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one is sourced from PubChem (CID 10900459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).