6,7-difluoro-1-(4-fluorobenzoyl)-2-(trifluoromethyl)-2,3-dihydroquinolin-4-one

C17H9F6NO2 — CID 134125542

IUPAC6,7-difluoro-1-(4-fluorobenzoyl)-2-(trifluoromethyl)-2,3-dihydroquinolin-4-one
SMILESO=C1CC(C(F)(F)F)N(C(=O)c2ccc(F)cc2)c2cc(F)c(F)cc21
InChIInChI=1S/C17H9F6NO2/c18-9-3-1-8(2-4-9)16(26)24-13-6-12(20)11(19)5-10(13)14(25)7-15(24)17(21,22)23/h1-6,15H,7H2
InChIKeyYQMBFCSBXKHDKD-UHFFFAOYSA-N
MW373.25 g/mol
LogP4.27
Rot. Bonds1

About 6,7-difluoro-1-(4-fluorobenzoyl)-2-(trifluoromethyl)-2,3-dihydroquinolin-4-one

6,7-difluoro-1-(4-fluorobenzoyl)-2-(trifluoromethyl)-2,3-dihydroquinolin-4-one (PubChem CID 134125542) has the molecular formula C17H9F6NO2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 6,7-difluoro-1-(4-fluorobenzoyl)-2-(trifluoromethyl)-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name6,7-difluoro-1-(4-fluorobenzoyl)-2-(trifluoromethyl)-2,3-dihydroquinolin-4-one
PubChem CID134125542
Molecular FormulaC17H9F6NO2
Molecular Weight373.25 g/mol
Exact Mass373.05
IUPAC Name6,7-difluoro-1-(4-fluorobenzoyl)-2-(trifluoromethyl)-2,3-dihydroquinolin-4-one
SMILESO=C1CC(C(F)(F)F)N(C(=O)c2ccc(F)cc2)c2cc(F)c(F)cc21
InChIInChI=1S/C17H9F6NO2/c18-9-3-1-8(2-4-9)16(26)24-13-6-12(20)11(19)5-10(13)14(25)7-15(24)17(21,22)23/h1-6,15H,7H2
InChIKeyYQMBFCSBXKHDKD-UHFFFAOYSA-N
XLogP4.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-1-(3-fluoro-4-nitrobenzoyl)-2-(trifluoromethyl)-2,3-dihydroquinolin-4-one
CID 134101831
1-(4-ethylbenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one
CID 134103977
[6-fluoro-4-(4-fluorophenyl)imino-2-(trifluoromethyl)-2,3-dihydroquinolin-1-yl]-(3-fluoro-4-nitrophenyl)methanone
CID 134101834
6-fluoro-2-methyl-1-(pyridine-4-carbonyl)-2,3-dihydroquinolin-4-one
CID 56695445
6-fluoro-1-(3-fluoro-4-iodobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one
CID 134106081
8-chloro-1-(4-fluorobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one
CID 134125548
(3S,4S)-1-(4-fluorobenzoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950882
4-amino-1-(4-fluorobenzoyl)pyrrolidin-2-one
CID 112534687
N-(4-chlorophenyl)-N-[(2R,4R)-1-(4-fluorobenzoyl)-6-methoxy-2-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]propanamide
CID 86592049
1-(4-fluorobenzoyl)pyrrolidine-2,5-dione
CID 790945
[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 113078685
6-bromo-1'-(4-fluorobenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46077773

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1-(4-fluorobenzoyl)-2-(trifluoromethyl)-2,3-dihydroquinolin-4-one?
The IUPAC name of 6,7-difluoro-1-(4-fluorobenzoyl)-2-(trifluoromethyl)-2,3-dihydroquinolin-4-one (CID 134125542) is 6,7-difluoro-1-(4-fluorobenzoyl)-2-(trifluoromethyl)-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 6,7-difluoro-1-(4-fluorobenzoyl)-2-(trifluoromethyl)-2,3-dihydroquinolin-4-one?
The canonical SMILES for 6,7-difluoro-1-(4-fluorobenzoyl)-2-(trifluoromethyl)-2,3-dihydroquinolin-4-one is O=C1CC(C(F)(F)F)N(C(=O)c2ccc(F)cc2)c2cc(F)c(F)cc21.
What is the InChIKey of 6,7-difluoro-1-(4-fluorobenzoyl)-2-(trifluoromethyl)-2,3-dihydroquinolin-4-one?
The InChIKey is YQMBFCSBXKHDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F6NO2/c18-9-3-1-8(2-4-9)16(26)24-13-6-12(20)11(19)5-10(13)14(25)7-15(24)17(21,22)23/h1-6,15H,7H2.
What are the key properties of 6,7-difluoro-1-(4-fluorobenzoyl)-2-(trifluoromethyl)-2,3-dihydroquinolin-4-one?
6,7-difluoro-1-(4-fluorobenzoyl)-2-(trifluoromethyl)-2,3-dihydroquinolin-4-one has a molecular weight of 373.25 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1-(4-fluorobenzoyl)-2-(trifluoromethyl)-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 134125542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).