2,2-difluoro-1-imidazol-1-yl-3-methylbutan-1-one

C8H10F2N2O — CID 130327690

IUPAC2,2-difluoro-1-imidazol-1-yl-3-methylbutan-1-one
SMILESCC(C)C(F)(F)C(=O)n1ccnc1
InChIInChI=1S/C8H10F2N2O/c1-6(2)8(9,10)7(13)12-4-3-11-5-12/h3-6H,1-2H3
InChIKeyVUZAAOULNXKWTK-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.81
Rot. Bonds2

About 2,2-difluoro-1-imidazol-1-yl-3-methylbutan-1-one

2,2-difluoro-1-imidazol-1-yl-3-methylbutan-1-one (PubChem CID 130327690) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 2,2-difluoro-1-imidazol-1-yl-3-methylbutan-1-one.

Molecular Properties

Compound Name2,2-difluoro-1-imidazol-1-yl-3-methylbutan-1-one
PubChem CID130327690
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name2,2-difluoro-1-imidazol-1-yl-3-methylbutan-1-one
SMILESCC(C)C(F)(F)C(=O)n1ccnc1
InChIInChI=1S/C8H10F2N2O/c1-6(2)8(9,10)7(13)12-4-3-11-5-12/h3-6H,1-2H3
InChIKeyVUZAAOULNXKWTK-UHFFFAOYSA-N
XLogP1.81
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(Heptafluorobutyryl)imidazole
CID 94431
1-(Trifluoroacetyl)imidazole
CID 73767
1-(2,2,3,3,3-Pentafluoro-1-oxopropyl)-1H-imidazole
CID 100821
1-Butyrylimidazole
CID 643404
N-(4-imidazol-1-ylbut-2-ynyl)-N-methylacetamide
CID 15065557
1-(1-oxopropyl)-1H-imidazole
CID 77770
1-(1H-Imidazol-1-yl)-2,2-dimethyl-1-propanone
CID 545333
1-Ethenyl-3-methylimidazol-3-ium;1-ethenylpyrrolidin-2-one;chloride
CID 163647
1-Butyl-3-methylimidazolium Trifluoroacetate
CID 10125280
N,N-dipropylimidazole-1-carboxamide
CID 44306094
N,N-dibutylimidazole-1-carboxamide
CID 44306037
6,8-Diethyl-1-methylimidazo[1,2-a]pyrimidin-1-ium-5,7-dione
CID 44459418

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-imidazol-1-yl-3-methylbutan-1-one?
The IUPAC name of 2,2-difluoro-1-imidazol-1-yl-3-methylbutan-1-one (CID 130327690) is 2,2-difluoro-1-imidazol-1-yl-3-methylbutan-1-one.
What is the SMILES notation for 2,2-difluoro-1-imidazol-1-yl-3-methylbutan-1-one?
The canonical SMILES for 2,2-difluoro-1-imidazol-1-yl-3-methylbutan-1-one is CC(C)C(F)(F)C(=O)n1ccnc1.
What is the InChIKey of 2,2-difluoro-1-imidazol-1-yl-3-methylbutan-1-one?
The InChIKey is VUZAAOULNXKWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-6(2)8(9,10)7(13)12-4-3-11-5-12/h3-6H,1-2H3.
What are the key properties of 2,2-difluoro-1-imidazol-1-yl-3-methylbutan-1-one?
2,2-difluoro-1-imidazol-1-yl-3-methylbutan-1-one has a molecular weight of 188.18 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-imidazol-1-yl-3-methylbutan-1-one is sourced from PubChem (CID 130327690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).