1-hydroxy-4-(trifluoromethyl)quinolin-2-one

C10H6F3NO2 — CID 141055492

IUPAC1-hydroxy-4-(trifluoromethyl)quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2ccccc2n1O
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)7-5-9(15)14(16)8-4-2-1-3-6(7)8/h1-5,16H
InChIKeyGTGDCXFVFOWJNE-UHFFFAOYSA-N
MW229.16 g/mol
LogP2.26
Rot. Bonds

About 1-hydroxy-4-(trifluoromethyl)quinolin-2-one

1-hydroxy-4-(trifluoromethyl)quinolin-2-one (PubChem CID 141055492) has the molecular formula C10H6F3NO2 and a molecular weight of 229.16 g/mol. Its IUPAC name is 1-hydroxy-4-(trifluoromethyl)quinolin-2-one.

Molecular Properties

Compound Name1-hydroxy-4-(trifluoromethyl)quinolin-2-one
PubChem CID141055492
Molecular FormulaC10H6F3NO2
Molecular Weight229.16 g/mol
Exact Mass229.04
IUPAC Name1-hydroxy-4-(trifluoromethyl)quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2ccccc2n1O
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)7-5-9(15)14(16)8-4-2-1-3-6(7)8/h1-5,16H
InChIKeyGTGDCXFVFOWJNE-UHFFFAOYSA-N
XLogP2.26
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(hydroxymethyl)phenyl]-4-(trifluoromethyl)quinolin-2-one
CID 22279153
1-butyl-4-(trifluoromethyl)quinolin-2-one
CID 91434703
1-hydroxy-4-(trifluoromethyl)indole-2-carboxylic acid
CID 51354283
9-[4-carbazol-9-yl-2,5-bis(trifluoromethyl)phenyl]carbazole
CID 135136219
ethane;9-hydroxycarbazole
CID 153391260
4-hexoxy-1-hydroxyquinolin-2-one
CID 140979704
1-hydroxy-4-(3-methylbut-2-enoxy)quinolin-2-one
CID 140979702
6-fluoro-1-methyl-4-(trifluoromethyl)quinolin-2-one
CID 146567148
7-bromo-1-methyl-4-(trifluoromethyl)quinolin-2-one
CID 170588235
9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]carbazole
CID 166982249
1-hydroxy-3-(trifluoromethyl)indazole
CID 137437749
1-(2-aminoethyl)-7-hydroxy-4-(trifluoromethyl)quinolin-2-one
CID 52912225

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-(trifluoromethyl)quinolin-2-one?
The IUPAC name of 1-hydroxy-4-(trifluoromethyl)quinolin-2-one (CID 141055492) is 1-hydroxy-4-(trifluoromethyl)quinolin-2-one.
What is the SMILES notation for 1-hydroxy-4-(trifluoromethyl)quinolin-2-one?
The canonical SMILES for 1-hydroxy-4-(trifluoromethyl)quinolin-2-one is O=c1cc(C(F)(F)F)c2ccccc2n1O.
What is the InChIKey of 1-hydroxy-4-(trifluoromethyl)quinolin-2-one?
The InChIKey is GTGDCXFVFOWJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO2/c11-10(12,13)7-5-9(15)14(16)8-4-2-1-3-6(7)8/h1-5,16H.
What are the key properties of 1-hydroxy-4-(trifluoromethyl)quinolin-2-one?
1-hydroxy-4-(trifluoromethyl)quinolin-2-one has a molecular weight of 229.16 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-(trifluoromethyl)quinolin-2-one is sourced from PubChem (CID 141055492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).