2,2,3,3-tetrafluoro-1-(1-methylimidazol-4-yl)propan-1-one

C7H6F4N2O — CID 126976762

IUPAC2,2,3,3-tetrafluoro-1-(1-methylimidazol-4-yl)propan-1-one
SMILESCn1cnc(C(=O)C(F)(F)C(F)F)c1
InChIInChI=1S/C7H6F4N2O/c1-13-2-4(12-3-13)5(14)7(10,11)6(8)9/h2-3,6H,1H3
InChIKeyGXHYABQGGSEMQX-UHFFFAOYSA-N
MW210.13 g/mol
LogP1.50
Rot. Bonds3

About 2,2,3,3-tetrafluoro-1-(1-methylimidazol-4-yl)propan-1-one

2,2,3,3-tetrafluoro-1-(1-methylimidazol-4-yl)propan-1-one (PubChem CID 126976762) has the molecular formula C7H6F4N2O and a molecular weight of 210.13 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-1-(1-methylimidazol-4-yl)propan-1-one.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-1-(1-methylimidazol-4-yl)propan-1-one
PubChem CID126976762
Molecular FormulaC7H6F4N2O
Molecular Weight210.13 g/mol
Exact Mass210.04
IUPAC Name2,2,3,3-tetrafluoro-1-(1-methylimidazol-4-yl)propan-1-one
SMILESCn1cnc(C(=O)C(F)(F)C(F)F)c1
InChIInChI=1S/C7H6F4N2O/c1-13-2-4(12-3-13)5(14)7(10,11)6(8)9/h2-3,6H,1H3
InChIKeyGXHYABQGGSEMQX-UHFFFAOYSA-N
XLogP1.50
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethanone, 1-(1-methyl-2-nitro-1H-imidazol-5-yl)-
CID 21503737
1-(1-methyl-1H-imidazol-5-yl)propan-1-one
CID 15128991
5H,6H,7H,8H-imidazo(1,5-a)pyridin-8-one
CID 16752069
1-(1-methyl-1H-imidazol-4-yl)ethan-1-one
CID 23143467
1-(1,2-Dimethyl-1H-imidazol-5-yl)ethan-1-one
CID 13483374
1-(1,2-Dimethyl-1H-imidazol-4-yl)ethanone
CID 13483382
1-(1-methyl-1H-imidazol-5-yl)ethan-1-one hydrochloride
CID 86775416
2-amino-1-(1-methyl-1H-imidazol-4-yl)ethan-1-one dihydrochloride
CID 165879953
2-amino-1-(1-methyl-1H-imidazol-5-yl)ethan-1-one dihydrochloride
CID 165950242
(E)-3-(dimethylamino)-1-(2,3-dimethylimidazol-4-yl)prop-2-en-1-one
CID 22273537
3-amino-1-(1H-imidazol-5-yl)propan-1-one
CID 22390571
Pyrrolo[1,2-c]imidazol-7-one
CID 130056468

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-1-(1-methylimidazol-4-yl)propan-1-one?
The IUPAC name of 2,2,3,3-tetrafluoro-1-(1-methylimidazol-4-yl)propan-1-one (CID 126976762) is 2,2,3,3-tetrafluoro-1-(1-methylimidazol-4-yl)propan-1-one.
What is the SMILES notation for 2,2,3,3-tetrafluoro-1-(1-methylimidazol-4-yl)propan-1-one?
The canonical SMILES for 2,2,3,3-tetrafluoro-1-(1-methylimidazol-4-yl)propan-1-one is Cn1cnc(C(=O)C(F)(F)C(F)F)c1.
What is the InChIKey of 2,2,3,3-tetrafluoro-1-(1-methylimidazol-4-yl)propan-1-one?
The InChIKey is GXHYABQGGSEMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4N2O/c1-13-2-4(12-3-13)5(14)7(10,11)6(8)9/h2-3,6H,1H3.
What are the key properties of 2,2,3,3-tetrafluoro-1-(1-methylimidazol-4-yl)propan-1-one?
2,2,3,3-tetrafluoro-1-(1-methylimidazol-4-yl)propan-1-one has a molecular weight of 210.13 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-1-(1-methylimidazol-4-yl)propan-1-one is sourced from PubChem (CID 126976762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).