2,2-difluoro-2-imidazol-1-ylacetyl fluoride

C5H3F3N2O — CID 71775166

IUPAC2,2-difluoro-2-imidazol-1-ylacetyl fluoride
SMILESO=C(F)C(F)(F)n1ccnc1
InChIInChI=1S/C5H3F3N2O/c6-4(11)5(7,8)10-2-1-9-3-10/h1-3H
InChIKeyNOVYJXUKAGJITK-UHFFFAOYSA-N
MW164.09 g/mol
LogP0.93
Rot. Bonds2

About 2,2-difluoro-2-imidazol-1-ylacetyl fluoride

2,2-difluoro-2-imidazol-1-ylacetyl fluoride (PubChem CID 71775166) has the molecular formula C5H3F3N2O and a molecular weight of 164.09 g/mol. Its IUPAC name is 2,2-difluoro-2-imidazol-1-ylacetyl fluoride.

Molecular Properties

Compound Name2,2-difluoro-2-imidazol-1-ylacetyl fluoride
PubChem CID71775166
Molecular FormulaC5H3F3N2O
Molecular Weight164.09 g/mol
Exact Mass164.02
IUPAC Name2,2-difluoro-2-imidazol-1-ylacetyl fluoride
SMILESO=C(F)C(F)(F)n1ccnc1
InChIInChI=1S/C5H3F3N2O/c6-4(11)5(7,8)10-2-1-9-3-10/h1-3H
InChIKeyNOVYJXUKAGJITK-UHFFFAOYSA-N
XLogP0.93
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.09
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

1-(1,1,2,2,2-pentafluoroethyl)imidazole
CID 87105376
3-imidazol-1-yl-3-methylbutanoic acid
CID 84653037
1-(1,1,2,2,3,3,3-heptafluoropropyl)imidazole
CID 87105356
1-(tribromomethyl)imidazole
CID 174422009
2-imidazol-1-ylpropan-2-ol
CID 57110355
1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole
CID 91373212
2-fluoro-1-imidazol-1-yl-2-methylpropan-1-one
CID 146826103
1-[(Z)-2-chloro-1,2-difluoroethenyl]imidazole
CID 119084004
acetic acid;1-tritylimidazole
CID 67535266
1-[di(imidazol-1-yl)-isocyanomethyl]imidazole
CID 134917270
2-hydroxyimino-3-imidazol-1-yl-N,3-dimethylbutanamide
CID 86738590
ethyl 1,1,2,2-tetrafluoro-2-imidazol-1-ylethanesulfonate
CID 174983529

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-imidazol-1-ylacetyl fluoride?
The IUPAC name of 2,2-difluoro-2-imidazol-1-ylacetyl fluoride (CID 71775166) is 2,2-difluoro-2-imidazol-1-ylacetyl fluoride.
What is the SMILES notation for 2,2-difluoro-2-imidazol-1-ylacetyl fluoride?
The canonical SMILES for 2,2-difluoro-2-imidazol-1-ylacetyl fluoride is O=C(F)C(F)(F)n1ccnc1.
What is the InChIKey of 2,2-difluoro-2-imidazol-1-ylacetyl fluoride?
The InChIKey is NOVYJXUKAGJITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2O/c6-4(11)5(7,8)10-2-1-9-3-10/h1-3H.
What are the key properties of 2,2-difluoro-2-imidazol-1-ylacetyl fluoride?
2,2-difluoro-2-imidazol-1-ylacetyl fluoride has a molecular weight of 164.09 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-imidazol-1-ylacetyl fluoride is sourced from PubChem (CID 71775166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).