6-(4-fluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one

C16H9F4NO — CID 22279085

IUPAC6-(4-fluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2cc(-c3ccc(F)cc3)ccc2[nH]1
InChIInChI=1S/C16H9F4NO/c17-11-4-1-9(2-5-11)10-3-6-14-12(7-10)13(16(18,19)20)8-15(22)21-14/h1-8H,(H,21,22)
InChIKeyXMVSAYKQMLBUBU-UHFFFAOYSA-N
MW307.25 g/mol
LogP4.35
Rot. Bonds1

About 6-(4-fluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one

6-(4-fluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 22279085) has the molecular formula C16H9F4NO and a molecular weight of 307.25 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID22279085
Molecular FormulaC16H9F4NO
Molecular Weight307.25 g/mol
Exact Mass307.06
IUPAC Name6-(4-fluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2cc(-c3ccc(F)cc3)ccc2[nH]1
InChIInChI=1S/C16H9F4NO/c17-11-4-1-9(2-5-11)10-3-6-14-12(7-10)13(16(18,19)20)8-15(22)21-14/h1-8H,(H,21,22)
InChIKeyXMVSAYKQMLBUBU-UHFFFAOYSA-N
XLogP4.35
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.25
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Methylquinolin-2-ol
CID 69088
N-Acetyl-4-aminobiphenyl
CID 19998
N-(2,4-Dimethylphenyl)acetamide
CID 16303
Acetylbenzidine
CID 18787
6-Methylquinolin-2(1H)-one
CID 12237458
3-Fluoro-1,2-dihydroquinolin-2-one
CID 11094963
4,8-Dimethyl-2-hydroxyquinoline
CID 220708
6-(4-(trifluoromethyl)phenyl)-3,4-dihydroquinolin-2(1H)-one
CID 12000936
Acetanilide, 4'-ethyl-2,2,2-trifluoro-
CID 26767
3-Deoxyviridicatin
CID 375912
7-Amino-4-trifluoromethyl-2-quinolinone
CID 194069
4-(Trifluoromethyl)-8,8-dimethyl-8,9-dihydropyrido[3,2-g]quinolin-2(1H)-one
CID 10851308

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-(4-fluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one (CID 22279085) is 6-(4-fluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-(4-fluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-(4-fluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one is O=c1cc(C(F)(F)F)c2cc(-c3ccc(F)cc3)ccc2[nH]1.
What is the InChIKey of 6-(4-fluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is XMVSAYKQMLBUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F4NO/c17-11-4-1-9(2-5-11)10-3-6-14-12(7-10)13(16(18,19)20)8-15(22)21-14/h1-8H,(H,21,22).
What are the key properties of 6-(4-fluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one?
6-(4-fluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 307.25 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 22279085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).