6-fluoro-4-(trifluoromethyl)-6H-quinolin-2-one

C10H5F4NO — CID 73083461

IUPAC6-fluoro-4-(trifluoromethyl)-6H-quinolin-2-one
SMILESO=C1C=C(C(F)(F)F)C2=CC(F)C=CC2=N1
InChIInChI=1S/C10H5F4NO/c11-5-1-2-8-6(3-5)7(10(12,13)14)4-9(16)15-8/h1-5H
InChIKeyHCEXYACFRBALCW-UHFFFAOYSA-N
MW231.15 g/mol
LogP2.29
Rot. Bonds

About 6-fluoro-4-(trifluoromethyl)-6H-quinolin-2-one

6-fluoro-4-(trifluoromethyl)-6H-quinolin-2-one (PubChem CID 73083461) has the molecular formula C10H5F4NO and a molecular weight of 231.15 g/mol. Its IUPAC name is 6-fluoro-4-(trifluoromethyl)-6H-quinolin-2-one.

Molecular Properties

Compound Name6-fluoro-4-(trifluoromethyl)-6H-quinolin-2-one
PubChem CID73083461
Molecular FormulaC10H5F4NO
Molecular Weight231.15 g/mol
Exact Mass231.03
IUPAC Name6-fluoro-4-(trifluoromethyl)-6H-quinolin-2-one
SMILESO=C1C=C(C(F)(F)F)C2=CC(F)C=CC2=N1
InChIInChI=1S/C10H5F4NO/c11-5-1-2-8-6(3-5)7(10(12,13)14)4-9(16)15-8/h1-5H
InChIKeyHCEXYACFRBALCW-UHFFFAOYSA-N
XLogP2.29
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.15
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 54356889
3-(Trifluoromethyl)indol-2-one
CID 19417810
3,4-Difluoro-1-benzazepin-2-one
CID 19706833
6-(Trifluoromethyl)-1-benzazepin-2-one
CID 19838419
6-(Fluoromethyl)indol-2-one
CID 20284781
3-(Trifluoromethyl)-1-benzazepin-2-one
CID 21645863
6-Fluoroindol-2-one
CID 45108281
6-(Trifluoromethyl)indol-2-one
CID 46173012
5-Fluoro-2-oxo-indole
CID 46739847
4-Fluoro-2H-indol-2-one
CID 46739859
5-Trifluoromethyloxoindole
CID 46739861
3,4-Difluoroindol-2-one
CID 53681517

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-(trifluoromethyl)-6H-quinolin-2-one?
The IUPAC name of 6-fluoro-4-(trifluoromethyl)-6H-quinolin-2-one (CID 73083461) is 6-fluoro-4-(trifluoromethyl)-6H-quinolin-2-one.
What is the SMILES notation for 6-fluoro-4-(trifluoromethyl)-6H-quinolin-2-one?
The canonical SMILES for 6-fluoro-4-(trifluoromethyl)-6H-quinolin-2-one is O=C1C=C(C(F)(F)F)C2=CC(F)C=CC2=N1.
What is the InChIKey of 6-fluoro-4-(trifluoromethyl)-6H-quinolin-2-one?
The InChIKey is HCEXYACFRBALCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F4NO/c11-5-1-2-8-6(3-5)7(10(12,13)14)4-9(16)15-8/h1-5H.
What are the key properties of 6-fluoro-4-(trifluoromethyl)-6H-quinolin-2-one?
6-fluoro-4-(trifluoromethyl)-6H-quinolin-2-one has a molecular weight of 231.15 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(trifluoromethyl)-6H-quinolin-2-one is sourced from PubChem (CID 73083461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).