7-(2,2-dimethylpropyl)-2,2-difluoro-5-azaspiro[3.4]octan-6-one

C12H19F2NO — CID 167425006

IUPAC7-(2,2-dimethylpropyl)-2,2-difluoro-5-azaspiro[3.4]octan-6-one
SMILESCC(C)(C)CC1CC2(CC(F)(F)C2)NC1=O
InChIInChI=1S/C12H19F2NO/c1-10(2,3)4-8-5-11(15-9(8)16)6-12(13,14)7-11/h8H,4-7H2,1-3H3,(H,15,16)
InChIKeyACSHQXNEBXCLPQ-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.73
Rot. Bonds1

About 7-(2,2-dimethylpropyl)-2,2-difluoro-5-azaspiro[3.4]octan-6-one

7-(2,2-dimethylpropyl)-2,2-difluoro-5-azaspiro[3.4]octan-6-one (PubChem CID 167425006) has the molecular formula C12H19F2NO and a molecular weight of 231.29 g/mol. Its IUPAC name is 7-(2,2-dimethylpropyl)-2,2-difluoro-5-azaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name7-(2,2-dimethylpropyl)-2,2-difluoro-5-azaspiro[3.4]octan-6-one
PubChem CID167425006
Molecular FormulaC12H19F2NO
Molecular Weight231.29 g/mol
Exact Mass231.14
IUPAC Name7-(2,2-dimethylpropyl)-2,2-difluoro-5-azaspiro[3.4]octan-6-one
SMILESCC(C)(C)CC1CC2(CC(F)(F)C2)NC1=O
InChIInChI=1S/C12H19F2NO/c1-10(2,3)4-8-5-11(15-9(8)16)6-12(13,14)7-11/h8H,4-7H2,1-3H3,(H,15,16)
InChIKeyACSHQXNEBXCLPQ-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;6-ethyl-4-azaspiro[2.4]heptan-5-one
CID 167481225
2,4-bis(2,2-dimethylpropyl)cyclobutan-1-one
CID 164791097
2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride
CID 168861115
2-amino-2-methyl-3-(8-methylsulfonyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)propanoic acid
CID 168861043
6-tert-butyl-4-azaspiro[2.4]heptan-5-one
CID 176748815
ethane;3-ethyl-5,5-dimethylpyrrolidin-2-one
CID 167482044
(2S)-2-[[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]-4,4-dimethyl-N-[(2R)-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]propan-2-yl]pentanamide
CID 166840380
ethane;6-methyl-4-azaspiro[2.4]heptan-5-one
CID 168941939
2-(2,2-dimethylpropyl)-1-fluoro-1-methylcyclopropane
CID 58247817
3-(2,2-dimethylpropyl)-5-ethenylpyrrolidin-2-one
CID 166936226
(2S)-2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanal
CID 167481044
2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanenitrile
CID 167481421

Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dimethylpropyl)-2,2-difluoro-5-azaspiro[3.4]octan-6-one?
The IUPAC name of 7-(2,2-dimethylpropyl)-2,2-difluoro-5-azaspiro[3.4]octan-6-one (CID 167425006) is 7-(2,2-dimethylpropyl)-2,2-difluoro-5-azaspiro[3.4]octan-6-one.
What is the SMILES notation for 7-(2,2-dimethylpropyl)-2,2-difluoro-5-azaspiro[3.4]octan-6-one?
The canonical SMILES for 7-(2,2-dimethylpropyl)-2,2-difluoro-5-azaspiro[3.4]octan-6-one is CC(C)(C)CC1CC2(CC(F)(F)C2)NC1=O.
What is the InChIKey of 7-(2,2-dimethylpropyl)-2,2-difluoro-5-azaspiro[3.4]octan-6-one?
The InChIKey is ACSHQXNEBXCLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO/c1-10(2,3)4-8-5-11(15-9(8)16)6-12(13,14)7-11/h8H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 7-(2,2-dimethylpropyl)-2,2-difluoro-5-azaspiro[3.4]octan-6-one?
7-(2,2-dimethylpropyl)-2,2-difluoro-5-azaspiro[3.4]octan-6-one has a molecular weight of 231.29 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-dimethylpropyl)-2,2-difluoro-5-azaspiro[3.4]octan-6-one is sourced from PubChem (CID 167425006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).