2-(2-chloro-4,6-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one

C15H16ClF2NO2 — CID 122672635

IUPAC2-(2-chloro-4,6-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one
SMILESO=C1N(c2c(F)cc(F)cc2Cl)CCC12CCC(O)CC2
InChIInChI=1S/C15H16ClF2NO2/c16-11-7-9(17)8-12(18)13(11)19-6-5-15(14(19)21)3-1-10(20)2-4-15/h7-8,10,20H,1-6H2
InChIKeyJEYYUAAZHHUSPE-UHFFFAOYSA-N
MW315.75 g/mol
LogP3.28
Rot. Bonds1

About 2-(2-chloro-4,6-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one

2-(2-chloro-4,6-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one (PubChem CID 122672635) has the molecular formula C15H16ClF2NO2 and a molecular weight of 315.75 g/mol. Its IUPAC name is 2-(2-chloro-4,6-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(2-chloro-4,6-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one
PubChem CID122672635
Molecular FormulaC15H16ClF2NO2
Molecular Weight315.75 g/mol
Exact Mass315.08
IUPAC Name2-(2-chloro-4,6-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one
SMILESO=C1N(c2c(F)cc(F)cc2Cl)CCC12CCC(O)CC2
InChIInChI=1S/C15H16ClF2NO2/c16-11-7-9(17)8-12(18)13(11)19-6-5-15(14(19)21)3-1-10(20)2-4-15/h7-8,10,20H,1-6H2
InChIKeyJEYYUAAZHHUSPE-UHFFFAOYSA-N
XLogP3.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.75
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-Dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-5-(hydroxymethyl)piperidin-2-one
CID 10237655
[2-(2-Chloro-4,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl] methanesulfonate
CID 122672269
2-(2-Chloro-4-fluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one
CID 122672326
2-(4-Fluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one
CID 122672476
2-(3,5-Difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one
CID 122672553
2-(2-Chloro-4-fluorophenyl)-9-hydroxy-2-azaspiro[5.5]undecan-1-one
CID 122672577
2-(2-Chloro-4-fluoro-5-methylphenyl)-9-hydroxy-2-azaspiro[5.5]undecan-1-one
CID 122672605
2-(2-Chloro-4,5-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one
CID 122672623
3-(2-Chloro-4-fluorophenyl)-9,12-dioxa-3-azadispiro[4.2.48.25]tetradecan-4-one
CID 122672625
2-(2-Chloro-4-fluoro-5-methylphenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one
CID 122672633
2-(2-Chloro-4-fluorophenyl)-8-hydroxy-3-methyl-2-azaspiro[4.5]decan-1-one
CID 122672643
2-(2-Chloro-4,5-difluorophenyl)-9-hydroxy-2-azaspiro[5.5]undecan-1-one
CID 122672862

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4,6-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 2-(2-chloro-4,6-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one (CID 122672635) is 2-(2-chloro-4,6-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(2-chloro-4,6-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(2-chloro-4,6-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one is O=C1N(c2c(F)cc(F)cc2Cl)CCC12CCC(O)CC2.
What is the InChIKey of 2-(2-chloro-4,6-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one?
The InChIKey is JEYYUAAZHHUSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2NO2/c16-11-7-9(17)8-12(18)13(11)19-6-5-15(14(19)21)3-1-10(20)2-4-15/h7-8,10,20H,1-6H2.
What are the key properties of 2-(2-chloro-4,6-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one?
2-(2-chloro-4,6-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one has a molecular weight of 315.75 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4,6-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 122672635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).