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

C9H6F3NO2 — CID 26986199

IUPAC1-hydroxy-6-(trifluoromethyl)-3H-indol-2-one
SMILESO=C1Cc2ccc(C(F)(F)F)cc2N1O
InChIInChI=1S/C9H6F3NO2/c10-9(11,12)6-2-1-5-3-8(14)13(15)7(5)4-6/h1-2,4,15H,3H2
InChIKeyMOKZZJNBZAQOTP-UHFFFAOYSA-N
MW217.15 g/mol
LogP1.98
Rot. Bonds

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

1-hydroxy-6-(trifluoromethyl)-3H-indol-2-one (PubChem CID 26986199) has the molecular formula C9H6F3NO2 and a molecular weight of 217.15 g/mol. Its IUPAC name is 1-hydroxy-6-(trifluoromethyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-hydroxy-6-(trifluoromethyl)-3H-indol-2-one
PubChem CID26986199
Molecular FormulaC9H6F3NO2
Molecular Weight217.15 g/mol
Exact Mass217.04
IUPAC Name1-hydroxy-6-(trifluoromethyl)-3H-indol-2-one
SMILESO=C1Cc2ccc(C(F)(F)F)cc2N1O
InChIInChI=1S/C9H6F3NO2/c10-9(11,12)6-2-1-5-3-8(14)13(15)7(5)4-6/h1-2,4,15H,3H2
InChIKeyMOKZZJNBZAQOTP-UHFFFAOYSA-N
XLogP1.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-6-(trifluoromethyl)-3H-indol-2-one
CID 117206073
6-bromo-1-hydroxy-3H-indol-2-one
CID 70160286
1-acetyl-5-(trifluoromethyl)-3H-indol-2-one
CID 58031721
(3S)-3-amino-1-hydroxy-6-(trifluoromethyl)-3,4-dihydroquinolin-2-one
CID 53253721
1-[[3-(trifluoromethyl)phenyl]methyl]-3H-indol-2-one
CID 141283536
1-(1-cyclopentylethyl)-7-(trifluoromethyl)-3,4-dihydroquinolin-2-one
CID 178034181
2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-(trifluoromethyl)benzoic acid
CID 79530261
4-amino-1-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 66476045
4-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 43521028
(1R,2R,6S,7S)-4-[2-chloro-5-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 1351973
[(3R)-1-(cyclopentylmethyl)-2-oxo-7-(trifluoromethyl)-3,4-dihydroquinolin-3-yl]urea
CID 178034533
1-ethyl-7-(trifluoromethyl)-3,4-dihydroquinoxalin-2-one
CID 84631097

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6-(trifluoromethyl)-3H-indol-2-one?
The IUPAC name of 1-hydroxy-6-(trifluoromethyl)-3H-indol-2-one (CID 26986199) is 1-hydroxy-6-(trifluoromethyl)-3H-indol-2-one.
What is the SMILES notation for 1-hydroxy-6-(trifluoromethyl)-3H-indol-2-one?
The canonical SMILES for 1-hydroxy-6-(trifluoromethyl)-3H-indol-2-one is O=C1Cc2ccc(C(F)(F)F)cc2N1O.
What is the InChIKey of 1-hydroxy-6-(trifluoromethyl)-3H-indol-2-one?
The InChIKey is MOKZZJNBZAQOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NO2/c10-9(11,12)6-2-1-5-3-8(14)13(15)7(5)4-6/h1-2,4,15H,3H2.
What are the key properties of 1-hydroxy-6-(trifluoromethyl)-3H-indol-2-one?
1-hydroxy-6-(trifluoromethyl)-3H-indol-2-one has a molecular weight of 217.15 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-(trifluoromethyl)-3H-indol-2-one is sourced from PubChem (CID 26986199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).