6,8-difluorospiro[1,3-dihydroquinoline-2,4'-azocane]-4-one

C15H18F2N2O — CID 155573888

IUPAC6,8-difluorospiro[1,3-dihydroquinoline-2,4'-azocane]-4-one
SMILESO=C1CC2(CCCCNCC2)Nc2c(F)cc(F)cc21
InChIInChI=1S/C15H18F2N2O/c16-10-7-11-13(20)9-15(19-14(11)12(17)8-10)3-1-2-5-18-6-4-15/h7-8,18-19H,1-6,9H2
InChIKeyVUDKLXBWNFLHEB-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.87
Rot. Bonds

About 6,8-difluorospiro[1,3-dihydroquinoline-2,4'-azocane]-4-one

6,8-difluorospiro[1,3-dihydroquinoline-2,4'-azocane]-4-one (PubChem CID 155573888) has the molecular formula C15H18F2N2O and a molecular weight of 280.32 g/mol. Its IUPAC name is 6,8-difluorospiro[1,3-dihydroquinoline-2,4'-azocane]-4-one.

Molecular Properties

Compound Name6,8-difluorospiro[1,3-dihydroquinoline-2,4'-azocane]-4-one
PubChem CID155573888
Molecular FormulaC15H18F2N2O
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name6,8-difluorospiro[1,3-dihydroquinoline-2,4'-azocane]-4-one
SMILESO=C1CC2(CCCCNCC2)Nc2c(F)cc(F)cc21
InChIInChI=1S/C15H18F2N2O/c16-10-7-11-13(20)9-15(19-14(11)12(17)8-10)3-1-2-5-18-6-4-15/h7-8,18-19H,1-6,9H2
InChIKeyVUDKLXBWNFLHEB-UHFFFAOYSA-N
XLogP2.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6,8-difluoro-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 155573811
6,8-difluorospiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclopentane]
CID 113325806
6,8-difluorospiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclobutane]
CID 115510189
6,8-difluorospiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 69014172
6,8-difluoro-N-[[3-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 155573937
6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
CID 68663303
6,8-difluorospiro[3H-chromene-2,3'-azetidine]-4-one
CID 160993637
6-fluorospiro[1,3-dihydroindole-2,4'-piperidine]
CID 105459074
1,9-diazaspiro[3.7]undecane
CID 118210185
6-fluorospiro[3H-indene-2,4'-piperidine]-1-one
CID 175058607
6-fluorospiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one
CID 102549266
7-fluorospiro[3,5-dihydro-1H-1,5-benzodiazepine-4,1'-cyclohexane]-2-one
CID 79295591

Frequently Asked Questions

What is the IUPAC name of 6,8-difluorospiro[1,3-dihydroquinoline-2,4'-azocane]-4-one?
The IUPAC name of 6,8-difluorospiro[1,3-dihydroquinoline-2,4'-azocane]-4-one (CID 155573888) is 6,8-difluorospiro[1,3-dihydroquinoline-2,4'-azocane]-4-one.
What is the SMILES notation for 6,8-difluorospiro[1,3-dihydroquinoline-2,4'-azocane]-4-one?
The canonical SMILES for 6,8-difluorospiro[1,3-dihydroquinoline-2,4'-azocane]-4-one is O=C1CC2(CCCCNCC2)Nc2c(F)cc(F)cc21.
What is the InChIKey of 6,8-difluorospiro[1,3-dihydroquinoline-2,4'-azocane]-4-one?
The InChIKey is VUDKLXBWNFLHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O/c16-10-7-11-13(20)9-15(19-14(11)12(17)8-10)3-1-2-5-18-6-4-15/h7-8,18-19H,1-6,9H2.
What are the key properties of 6,8-difluorospiro[1,3-dihydroquinoline-2,4'-azocane]-4-one?
6,8-difluorospiro[1,3-dihydroquinoline-2,4'-azocane]-4-one has a molecular weight of 280.32 g/mol, XLogP of 2.87, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluorospiro[1,3-dihydroquinoline-2,4'-azocane]-4-one is sourced from PubChem (CID 155573888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).