2-(3,5-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one

C15H17F2NO2 — CID 122672553

IUPAC2-(3,5-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one
SMILESO=C1N(c2cc(F)cc(F)c2)CCC12CCC(O)CC2
InChIInChI=1S/C15H17F2NO2/c16-10-7-11(17)9-12(8-10)18-6-5-15(14(18)20)3-1-13(19)2-4-15/h7-9,13,19H,1-6H2
InChIKeySSCPAOFPAYGHMP-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.62
Rot. Bonds1

About 2-(3,5-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one

2-(3,5-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one (PubChem CID 122672553) has the molecular formula C15H17F2NO2 and a molecular weight of 281.30 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one
PubChem CID122672553
Molecular FormulaC15H17F2NO2
Molecular Weight281.30 g/mol
Exact Mass281.12
IUPAC Name2-(3,5-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one
SMILESO=C1N(c2cc(F)cc(F)c2)CCC12CCC(O)CC2
InChIInChI=1S/C15H17F2NO2/c16-10-7-11(17)9-12(8-10)18-6-5-15(14(18)20)3-1-13(19)2-4-15/h7-9,13,19H,1-6H2
InChIKeySSCPAOFPAYGHMP-UHFFFAOYSA-N
XLogP2.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 2-(3,5-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one (CID 122672553) is 2-(3,5-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(3,5-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(3,5-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one is O=C1N(c2cc(F)cc(F)c2)CCC12CCC(O)CC2.
What is the InChIKey of 2-(3,5-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one?
The InChIKey is SSCPAOFPAYGHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO2/c16-10-7-11(17)9-12(8-10)18-6-5-15(14(18)20)3-1-13(19)2-4-15/h7-9,13,19H,1-6H2.
What are the key properties of 2-(3,5-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one?
2-(3,5-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one has a molecular weight of 281.30 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 122672553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).