2-(2-chloro-4,5-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one

C15H16ClF2NO2 — CID 122672623

IUPAC2-(2-chloro-4,5-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one
SMILESO=C1N(c2cc(F)c(F)cc2Cl)CCC12CCC(O)CC2
InChIInChI=1S/C15H16ClF2NO2/c16-10-7-11(17)12(18)8-13(10)19-6-5-15(14(19)21)3-1-9(20)2-4-15/h7-9,20H,1-6H2
InChIKeyGHUFFUQKQOKJNB-UHFFFAOYSA-N
MW315.75 g/mol
LogP3.28
Rot. Bonds1

About 2-(2-chloro-4,5-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one

2-(2-chloro-4,5-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one (PubChem CID 122672623) has the molecular formula C15H16ClF2NO2 and a molecular weight of 315.75 g/mol. Its IUPAC name is 2-(2-chloro-4,5-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(2-chloro-4,5-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one
PubChem CID122672623
Molecular FormulaC15H16ClF2NO2
Molecular Weight315.75 g/mol
Exact Mass315.08
IUPAC Name2-(2-chloro-4,5-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one
SMILESO=C1N(c2cc(F)c(F)cc2Cl)CCC12CCC(O)CC2
InChIInChI=1S/C15H16ClF2NO2/c16-10-7-11(17)12(18)8-13(10)19-6-5-15(14(19)21)3-1-9(20)2-4-15/h7-9,20H,1-6H2
InChIKeyGHUFFUQKQOKJNB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4,5-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 2-(2-chloro-4,5-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one (CID 122672623) is 2-(2-chloro-4,5-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(2-chloro-4,5-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(2-chloro-4,5-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one is O=C1N(c2cc(F)c(F)cc2Cl)CCC12CCC(O)CC2.
What is the InChIKey of 2-(2-chloro-4,5-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one?
The InChIKey is GHUFFUQKQOKJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2NO2/c16-10-7-11(17)12(18)8-13(10)19-6-5-15(14(19)21)3-1-9(20)2-4-15/h7-9,20H,1-6H2.
What are the key properties of 2-(2-chloro-4,5-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one?
2-(2-chloro-4,5-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-4,5-difluorophenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 122672623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).