8,8-difluoro-2-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one

C9H12F2N2O — CID 126673886

IUPAC8,8-difluoro-2-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one
SMILESCC1=NC2(CCC(F)(F)CC2)C(=O)N1
InChIInChI=1S/C9H12F2N2O/c1-6-12-7(14)8(13-6)2-4-9(10,11)5-3-8/h2-5H2,1H3,(H,12,13,14)
InChIKeyYTJIVHBMBPSTNB-UHFFFAOYSA-N
MW202.20 g/mol
LogP1.48
Rot. Bonds

About 8,8-difluoro-2-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one

8,8-difluoro-2-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one (PubChem CID 126673886) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is 8,8-difluoro-2-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name8,8-difluoro-2-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one
PubChem CID126673886
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name8,8-difluoro-2-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one
SMILESCC1=NC2(CCC(F)(F)CC2)C(=O)N1
InChIInChI=1S/C9H12F2N2O/c1-6-12-7(14)8(13-6)2-4-9(10,11)5-3-8/h2-5H2,1H3,(H,12,13,14)
InChIKeyYTJIVHBMBPSTNB-UHFFFAOYSA-N
XLogP1.48
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 51.48
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-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 8,8-difluoro-2-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one (CID 126673886) is 8,8-difluoro-2-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 8,8-difluoro-2-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 8,8-difluoro-2-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one is CC1=NC2(CCC(F)(F)CC2)C(=O)N1.
What is the InChIKey of 8,8-difluoro-2-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one?
The InChIKey is YTJIVHBMBPSTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c1-6-12-7(14)8(13-6)2-4-9(10,11)5-3-8/h2-5H2,1H3,(H,12,13,14).
What are the key properties of 8,8-difluoro-2-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one?
8,8-difluoro-2-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one has a molecular weight of 202.20 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-2-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 126673886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).