8,8-difluoro-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one

C9H13F2NO2 — CID 118366543

IUPAC8,8-difluoro-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC1NC(=O)OC12CCC(F)(F)CC2
InChIInChI=1S/C9H13F2NO2/c1-6-8(14-7(13)12-6)2-4-9(10,11)5-3-8/h6H,2-5H2,1H3,(H,12,13)
InChIKeyFLNPSYVKRSFBFC-UHFFFAOYSA-N
MW205.20 g/mol
LogP2.06
Rot. Bonds

About 8,8-difluoro-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one

8,8-difluoro-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 118366543) has the molecular formula C9H13F2NO2 and a molecular weight of 205.20 g/mol. Its IUPAC name is 8,8-difluoro-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8,8-difluoro-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID118366543
Molecular FormulaC9H13F2NO2
Molecular Weight205.20 g/mol
Exact Mass205.09
IUPAC Name8,8-difluoro-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC1NC(=O)OC12CCC(F)(F)CC2
InChIInChI=1S/C9H13F2NO2/c1-6-8(14-7(13)12-6)2-4-9(10,11)5-3-8/h6H,2-5H2,1H3,(H,12,13)
InChIKeyFLNPSYVKRSFBFC-UHFFFAOYSA-N
XLogP2.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 8,8-difluoro-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one (CID 118366543) is 8,8-difluoro-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 8,8-difluoro-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 8,8-difluoro-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one is CC1NC(=O)OC12CCC(F)(F)CC2.
What is the InChIKey of 8,8-difluoro-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is FLNPSYVKRSFBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO2/c1-6-8(14-7(13)12-6)2-4-9(10,11)5-3-8/h6H,2-5H2,1H3,(H,12,13).
What are the key properties of 8,8-difluoro-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one?
8,8-difluoro-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 205.20 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 118366543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).