1-(2,2-difluoro-2-iodoethyl)-2-methylimidazole

C6H7F2IN2 — CID 170281911

IUPAC1-(2,2-difluoro-2-iodoethyl)-2-methylimidazole
SMILESCc1nccn1CC(F)(F)I
InChIInChI=1S/C6H7F2IN2/c1-5-10-2-3-11(5)4-6(7,8)9/h2-3H,4H2,1H3
InChIKeyJIQNJCMROUMOMR-UHFFFAOYSA-N
MW272.04 g/mol
LogP2.22
Rot. Bonds2

About 1-(2,2-difluoro-2-iodoethyl)-2-methylimidazole

1-(2,2-difluoro-2-iodoethyl)-2-methylimidazole (PubChem CID 170281911) has the molecular formula C6H7F2IN2 and a molecular weight of 272.04 g/mol. Its IUPAC name is 1-(2,2-difluoro-2-iodoethyl)-2-methylimidazole.

Molecular Properties

Compound Name1-(2,2-difluoro-2-iodoethyl)-2-methylimidazole
PubChem CID170281911
Molecular FormulaC6H7F2IN2
Molecular Weight272.04 g/mol
Exact Mass271.96
IUPAC Name1-(2,2-difluoro-2-iodoethyl)-2-methylimidazole
SMILESCc1nccn1CC(F)(F)I
InChIInChI=1S/C6H7F2IN2/c1-5-10-2-3-11(5)4-6(7,8)9/h2-3H,4H2,1H3
InChIKeyJIQNJCMROUMOMR-UHFFFAOYSA-N
XLogP2.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.04
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

alumane;1-ethyl-2-methylimidazole;dihydrochloride
CID 173131459
2-fluoro-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 84654101
2-methyl-1-(2-methylimidazol-1-yl)propan-2-ol
CID 19434665
1-ethyl-2-methylimidazole;2,2,2-trifluoroacetic acid
CID 171928929
1-(3,3-difluorobutyl)-2-methylimidazole
CID 126793824
tris(2-methyl-1-propylimidazole);trihydroiodide
CID 173173325
1-ethyl-2-[(2-methylimidazol-1-yl)methyl]imidazole
CID 62406588
1-ethyl-2-methylimidazole;sulfuric acid
CID 174953824
2,2-dimethyl-3-(2-methylimidazol-1-yl)-N-propylpropan-1-amine
CID 79620191
1-(2-fluorobutyl)-2-methylimidazole
CID 127000116
1-ethenyl-2-methylimidazole;1-ethyl-2-methylimidazole
CID 159895967
2-(4-chlorophenyl)-3,3-dimethyl-1-(2-methylimidazol-1-yl)butan-2-ol
CID 70463706

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-2-iodoethyl)-2-methylimidazole?
The IUPAC name of 1-(2,2-difluoro-2-iodoethyl)-2-methylimidazole (CID 170281911) is 1-(2,2-difluoro-2-iodoethyl)-2-methylimidazole.
What is the SMILES notation for 1-(2,2-difluoro-2-iodoethyl)-2-methylimidazole?
The canonical SMILES for 1-(2,2-difluoro-2-iodoethyl)-2-methylimidazole is Cc1nccn1CC(F)(F)I.
What is the InChIKey of 1-(2,2-difluoro-2-iodoethyl)-2-methylimidazole?
The InChIKey is JIQNJCMROUMOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2IN2/c1-5-10-2-3-11(5)4-6(7,8)9/h2-3H,4H2,1H3.
What are the key properties of 1-(2,2-difluoro-2-iodoethyl)-2-methylimidazole?
1-(2,2-difluoro-2-iodoethyl)-2-methylimidazole has a molecular weight of 272.04 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-2-iodoethyl)-2-methylimidazole is sourced from PubChem (CID 170281911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).