2-[(3,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one

C15H18F2N2O — CID 82930927

IUPAC2-[(3,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCNCC2)CN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H18F2N2O/c16-12-2-1-11(7-13(12)17)9-19-10-15(8-14(19)20)3-5-18-6-4-15/h1-2,7,18H,3-6,8-10H2
InChIKeyIRNJXXBEGGKYNG-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.07
Rot. Bonds2

About 2-[(3,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one

2-[(3,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 82930927) has the molecular formula C15H18F2N2O and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID82930927
Molecular FormulaC15H18F2N2O
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[(3,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCNCC2)CN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H18F2N2O/c16-12-2-1-11(7-13(12)17)9-19-10-15(8-14(19)20)3-5-18-6-4-15/h1-2,7,18H,3-6,8-10H2
InChIKeyIRNJXXBEGGKYNG-UHFFFAOYSA-N
XLogP2.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-[(3,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 82930927) is 2-[(3,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-[(3,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCNCC2)CN1Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-[(3,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is IRNJXXBEGGKYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O/c16-12-2-1-11(7-13(12)17)9-19-10-15(8-14(19)20)3-5-18-6-4-15/h1-2,7,18H,3-6,8-10H2.
What are the key properties of 2-[(3,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
2-[(3,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 280.32 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 82930927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).