5,7-difluorospiro[1,3-dihydroquinoline-4,1'-cyclobutane]-2-one

C12H11F2NO — CID 132502235

IUPAC5,7-difluorospiro[1,3-dihydroquinoline-4,1'-cyclobutane]-2-one
SMILESO=C1CC2(CCC2)c2c(F)cc(F)cc2N1
InChIInChI=1S/C12H11F2NO/c13-7-4-8(14)11-9(5-7)15-10(16)6-12(11)2-1-3-12/h4-5H,1-3,6H2,(H,15,16)
InChIKeyQXERZVCSNQQJBM-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.73
Rot. Bonds

About 5,7-difluorospiro[1,3-dihydroquinoline-4,1'-cyclobutane]-2-one

5,7-difluorospiro[1,3-dihydroquinoline-4,1'-cyclobutane]-2-one (PubChem CID 132502235) has the molecular formula C12H11F2NO and a molecular weight of 223.22 g/mol. Its IUPAC name is 5,7-difluorospiro[1,3-dihydroquinoline-4,1'-cyclobutane]-2-one.

Molecular Properties

Compound Name5,7-difluorospiro[1,3-dihydroquinoline-4,1'-cyclobutane]-2-one
PubChem CID132502235
Molecular FormulaC12H11F2NO
Molecular Weight223.22 g/mol
Exact Mass223.08
IUPAC Name5,7-difluorospiro[1,3-dihydroquinoline-4,1'-cyclobutane]-2-one
SMILESO=C1CC2(CCC2)c2c(F)cc(F)cc2N1
InChIInChI=1S/C12H11F2NO/c13-7-4-8(14)11-9(5-7)15-10(16)6-12(11)2-1-3-12/h4-5H,1-3,6H2,(H,15,16)
InChIKeyQXERZVCSNQQJBM-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-fluorospiro[3,5-dihydro-1H-1,5-benzodiazepine-4,1'-cyclohexane]-2-one
CID 79295591
6,8-difluorospiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclobutane]
CID 115510189
4-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione
CID 63156404
5,7-difluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
CID 142301727
1-(2,4,6-trifluorophenyl)cyclopentan-1-amine;hydrochloride
CID 117046880
8-bromo-7-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 139310481
4,6-difluoro-3-(2-fluorophenyl)-3-hydroxy-1H-indol-2-one
CID 163232544
1-(2,4,6-trifluorophenyl)cyclopropane-1-carboxylic acid
CID 83412613
6,8-difluorospiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclopentane]
CID 113325806
5-amino-6-(2,3,5-trifluoroanilino)-1,3-dihydroindol-2-one
CID 62808776
6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457689
5,6-difluorospiro[1H-indole-3,1'-cyclopropane]-2-one
CID 164588624

Frequently Asked Questions

What is the IUPAC name of 5,7-difluorospiro[1,3-dihydroquinoline-4,1'-cyclobutane]-2-one?
The IUPAC name of 5,7-difluorospiro[1,3-dihydroquinoline-4,1'-cyclobutane]-2-one (CID 132502235) is 5,7-difluorospiro[1,3-dihydroquinoline-4,1'-cyclobutane]-2-one.
What is the SMILES notation for 5,7-difluorospiro[1,3-dihydroquinoline-4,1'-cyclobutane]-2-one?
The canonical SMILES for 5,7-difluorospiro[1,3-dihydroquinoline-4,1'-cyclobutane]-2-one is O=C1CC2(CCC2)c2c(F)cc(F)cc2N1.
What is the InChIKey of 5,7-difluorospiro[1,3-dihydroquinoline-4,1'-cyclobutane]-2-one?
The InChIKey is QXERZVCSNQQJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO/c13-7-4-8(14)11-9(5-7)15-10(16)6-12(11)2-1-3-12/h4-5H,1-3,6H2,(H,15,16).
What are the key properties of 5,7-difluorospiro[1,3-dihydroquinoline-4,1'-cyclobutane]-2-one?
5,7-difluorospiro[1,3-dihydroquinoline-4,1'-cyclobutane]-2-one has a molecular weight of 223.22 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluorospiro[1,3-dihydroquinoline-4,1'-cyclobutane]-2-one is sourced from PubChem (CID 132502235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).