8,8-difluoro-1-oxa-3-azaspiro[4.5]decan-2-one

C8H11F2NO2 — CID 118366330

IUPAC8,8-difluoro-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCC(F)(F)CC2)O1
InChIInChI=1S/C8H11F2NO2/c9-8(10)3-1-7(2-4-8)5-11-6(12)13-7/h1-5H2,(H,11,12)
InChIKeyKQSDSSSOTIODFK-UHFFFAOYSA-N
MW191.18 g/mol
LogP1.67
Rot. Bonds

About 8,8-difluoro-1-oxa-3-azaspiro[4.5]decan-2-one

8,8-difluoro-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 118366330) has the molecular formula C8H11F2NO2 and a molecular weight of 191.18 g/mol. Its IUPAC name is 8,8-difluoro-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8,8-difluoro-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID118366330
Molecular FormulaC8H11F2NO2
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name8,8-difluoro-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCC(F)(F)CC2)O1
InChIInChI=1S/C8H11F2NO2/c9-8(10)3-1-7(2-4-8)5-11-6(12)13-7/h1-5H2,(H,11,12)
InChIKeyKQSDSSSOTIODFK-UHFFFAOYSA-N
XLogP1.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 8,8-difluoro-1-oxa-3-azaspiro[4.5]decan-2-one (CID 118366330) is 8,8-difluoro-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 8,8-difluoro-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 8,8-difluoro-1-oxa-3-azaspiro[4.5]decan-2-one is O=C1NCC2(CCC(F)(F)CC2)O1.
What is the InChIKey of 8,8-difluoro-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is KQSDSSSOTIODFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO2/c9-8(10)3-1-7(2-4-8)5-11-6(12)13-7/h1-5H2,(H,11,12).
What are the key properties of 8,8-difluoro-1-oxa-3-azaspiro[4.5]decan-2-one?
8,8-difluoro-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 191.18 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 118366330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).