8,8-difluoro-2-(1-hydroxyethyl)-2-azaspiro[4.5]decan-1-one

C11H17F2NO2 — CID 163694496

IUPAC8,8-difluoro-2-(1-hydroxyethyl)-2-azaspiro[4.5]decan-1-one
SMILESCC(O)N1CCC2(CCC(F)(F)CC2)C1=O
InChIInChI=1S/C11H17F2NO2/c1-8(15)14-7-6-10(9(14)16)2-4-11(12,13)5-3-10/h8,15H,2-7H2,1H3
InChIKeyJVTRXHFGOXXJSU-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.75
Rot. Bonds1

About 8,8-difluoro-2-(1-hydroxyethyl)-2-azaspiro[4.5]decan-1-one

8,8-difluoro-2-(1-hydroxyethyl)-2-azaspiro[4.5]decan-1-one (PubChem CID 163694496) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is 8,8-difluoro-2-(1-hydroxyethyl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8,8-difluoro-2-(1-hydroxyethyl)-2-azaspiro[4.5]decan-1-one
PubChem CID163694496
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC Name8,8-difluoro-2-(1-hydroxyethyl)-2-azaspiro[4.5]decan-1-one
SMILESCC(O)N1CCC2(CCC(F)(F)CC2)C1=O
InChIInChI=1S/C11H17F2NO2/c1-8(15)14-7-6-10(9(14)16)2-4-11(12,13)5-3-10/h8,15H,2-7H2,1H3
InChIKeyJVTRXHFGOXXJSU-UHFFFAOYSA-N
XLogP1.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-2-(1-hydroxyethyl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8,8-difluoro-2-(1-hydroxyethyl)-2-azaspiro[4.5]decan-1-one (CID 163694496) is 8,8-difluoro-2-(1-hydroxyethyl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8,8-difluoro-2-(1-hydroxyethyl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8,8-difluoro-2-(1-hydroxyethyl)-2-azaspiro[4.5]decan-1-one is CC(O)N1CCC2(CCC(F)(F)CC2)C1=O.
What is the InChIKey of 8,8-difluoro-2-(1-hydroxyethyl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is JVTRXHFGOXXJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2/c1-8(15)14-7-6-10(9(14)16)2-4-11(12,13)5-3-10/h8,15H,2-7H2,1H3.
What are the key properties of 8,8-difluoro-2-(1-hydroxyethyl)-2-azaspiro[4.5]decan-1-one?
8,8-difluoro-2-(1-hydroxyethyl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 233.26 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-2-(1-hydroxyethyl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 163694496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).