1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2,2-dimethylpropan-1-one

C12H19F2NO — CID 126750228

IUPAC1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC2(CC1)CC2(F)F
InChIInChI=1S/C12H19F2NO/c1-10(2,3)9(16)15-6-4-11(5-7-15)8-12(11,13)14/h4-8H2,1-3H3
InChIKeyUQMDLHQKEMOBMI-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.68
Rot. Bonds

About 1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2,2-dimethylpropan-1-one

1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2,2-dimethylpropan-1-one (PubChem CID 126750228) has the molecular formula C12H19F2NO and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2,2-dimethylpropan-1-one
PubChem CID126750228
Molecular FormulaC12H19F2NO
Molecular Weight231.29 g/mol
Exact Mass231.14
IUPAC Name1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC2(CC1)CC2(F)F
InChIInChI=1S/C12H19F2NO/c1-10(2,3)9(16)15-6-4-11(5-7-15)8-12(11,13)14/h4-8H2,1-3H3
InChIKeyUQMDLHQKEMOBMI-UHFFFAOYSA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(azetidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 126750157
2,2-dimethyl-1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 126750235
2,2-dimethyl-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one
CID 126750142
1-(3,3-difluoroazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 58026223
2-[1-(2,2-dimethylpropanoyl)-4-fluoropiperidin-4-yl]butanenitrile
CID 126750405
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3360236
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 158455362
2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-methylpropanal
CID 164644526
1-[4-(2,2-dimethylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2,2-dimethylpropan-1-one
CID 169318628
2,2-dimethyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one
CID 142910401
3-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 116991070
2,2-dimethyl-1-(2-oxa-7-azaspiro[3.4]octan-7-yl)propan-1-one
CID 170540653

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2,2-dimethylpropan-1-one (CID 126750228) is 1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC2(CC1)CC2(F)F.
What is the InChIKey of 1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2,2-dimethylpropan-1-one?
The InChIKey is UQMDLHQKEMOBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO/c1-10(2,3)9(16)15-6-4-11(5-7-15)8-12(11,13)14/h4-8H2,1-3H3.
What are the key properties of 1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2,2-dimethylpropan-1-one?
1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2,2-dimethylpropan-1-one has a molecular weight of 231.29 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 126750228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).