6-(1,1-difluoropropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one

C8H12F2N2O — CID 130935250

IUPAC6-(1,1-difluoropropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C(F)F)N1CNC2(CC2)C1=O
InChIInChI=1S/C8H12F2N2O/c1-5(6(9)10)12-4-11-8(2-3-8)7(12)13/h5-6,11H,2-4H2,1H3
InChIKeyRYIJPNDWDQLQGM-UHFFFAOYSA-N
MW190.19 g/mol
LogP0.56
Rot. Bonds2

About 6-(1,1-difluoropropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one

6-(1,1-difluoropropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 130935250) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is 6-(1,1-difluoropropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(1,1-difluoropropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID130935250
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name6-(1,1-difluoropropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C(F)F)N1CNC2(CC2)C1=O
InChIInChI=1S/C8H12F2N2O/c1-5(6(9)10)12-4-11-8(2-3-8)7(12)13/h5-6,11H,2-4H2,1H3
InChIKeyRYIJPNDWDQLQGM-UHFFFAOYSA-N
XLogP0.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(5-methylhexan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83263250
6-octan-4-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 106021485
6-(1-cyclohexylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83255509
3-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one
CID 59128621
6-(3,3-dimethylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 114552420
6-[(1-methylcyclopentyl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83257758
6-(3-methylsulfanylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83256993
6-[(1-methylazetidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 130908995
6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83258358
3-[2-[butan-2-yl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one
CID 114134810
6-[2-(2-methoxyethoxy)ethyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83256016
3-(3,3-dimethylcyclopentyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 114552438

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoropropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(1,1-difluoropropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one (CID 130935250) is 6-(1,1-difluoropropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(1,1-difluoropropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(1,1-difluoropropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one is CC(C(F)F)N1CNC2(CC2)C1=O.
What is the InChIKey of 6-(1,1-difluoropropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is RYIJPNDWDQLQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-5(6(9)10)12-4-11-8(2-3-8)7(12)13/h5-6,11H,2-4H2,1H3.
What are the key properties of 6-(1,1-difluoropropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
6-(1,1-difluoropropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 190.19 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoropropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 130935250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).