[(5R,9R)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]azanide

C15H16F3N2O- — CID 159176510

IUPAC[(5R,9R)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]azanide
SMILES[NH-][C@H]1CC(F)(F)C[C@@]2(CCN(c3cccc(F)c3)C2=O)C1
InChIInChI=1S/C15H16F3N2O/c16-10-2-1-3-12(6-10)20-5-4-14(13(20)21)7-11(19)8-15(17,18)9-14/h1-3,6,11,19H,4-5,7-9H2/q-1/t11-,14-/m1/s1
InChIKeyKMIRHLLDJHFDPV-BXUZGUMPSA-N
MW297.30 g/mol
LogP3.79
Rot. Bonds1

About [(5R,9R)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]azanide

[(5R,9R)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]azanide (PubChem CID 159176510) has the molecular formula C15H16F3N2O- and a molecular weight of 297.30 g/mol. Its IUPAC name is [(5R,9R)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]azanide.

Molecular Properties

Compound Name[(5R,9R)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]azanide
PubChem CID159176510
Molecular FormulaC15H16F3N2O-
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Name[(5R,9R)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]azanide
SMILES[NH-][C@H]1CC(F)(F)C[C@@]2(CCN(c3cccc(F)c3)C2=O)C1
InChIInChI=1S/C15H16F3N2O/c16-10-2-1-3-12(6-10)20-5-4-14(13(20)21)7-11(19)8-15(17,18)9-14/h1-3,6,11,19H,4-5,7-9H2/q-1/t11-,14-/m1/s1
InChIKeyKMIRHLLDJHFDPV-BXUZGUMPSA-N
XLogP3.79
TPSA44.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methyl (5R,9S)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decane-9-carboxylate
CID 58237205
(5S,9S)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decane-9-carboxylic acid;methyl (5R,9S)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decane-9-carboxylate
CID 158707593
2-(3-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074477
N-[(5S,9S)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]pyridine-2-carboxamide
CID 67108409
(5S,7R,9S)-2-(3-fluorophenyl)-9-[2-(3-fluorophenyl)-2-oxoethyl]-7-hydroxy-2-azaspiro[4.5]decan-1-one
CID 58237379
(5R,7S)-2-(3-fluorophenyl)-7-(2-oxo-2-pyridin-4-ylethyl)-2-azaspiro[4.5]decan-1-one
CID 58237246
3-fluoro-N-[[(5S,7R,9S)-2-(3-fluorophenyl)-7-hydroxy-1-oxo-2-azaspiro[4.5]decan-9-yl]methyl]benzamide
CID 163789284
N-[(5S,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide
CID 67108857
2-(3-fluorophenyl)-7-propylsulfonyl-2,7-diazaspiro[3.5]nonan-3-one
CID 97472958
N-[(5R,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 58237396
2-(3-fluorophenyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one
CID 97473007
2-(3-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074479

Frequently Asked Questions

What is the IUPAC name of [(5R,9R)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]azanide?
The IUPAC name of [(5R,9R)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]azanide (CID 159176510) is [(5R,9R)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]azanide.
What is the SMILES notation for [(5R,9R)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]azanide?
The canonical SMILES for [(5R,9R)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]azanide is [NH-][C@H]1CC(F)(F)C[C@@]2(CCN(c3cccc(F)c3)C2=O)C1.
What is the InChIKey of [(5R,9R)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]azanide?
The InChIKey is KMIRHLLDJHFDPV-BXUZGUMPSA-N. The full InChI is InChI=1S/C15H16F3N2O/c16-10-2-1-3-12(6-10)20-5-4-14(13(20)21)7-11(19)8-15(17,18)9-14/h1-3,6,11,19H,4-5,7-9H2/q-1/t11-,14-/m1/s1.
What are the key properties of [(5R,9R)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]azanide?
[(5R,9R)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]azanide has a molecular weight of 297.30 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,9R)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]azanide is sourced from PubChem (CID 159176510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).