1-(2-bromo-1,1,2,2-tetrafluoroethyl)imidazole;1H-imidazole

C8H7BrF4N4 — CID 162234021

IUPAC1-(2-bromo-1,1,2,2-tetrafluoroethyl)imidazole;1H-imidazole
SMILESFC(F)(Br)C(F)(F)n1ccnc1.c1c[nH]cn1
InChIInChI=1S/C5H3BrF4N2.C3H4N2/c6-4(7,8)5(9,10)12-2-1-11-3-12;1-2-5-3-4-1/h1-3H;1-3H,(H,4,5)
InChIKeyZVVAURHJHUXNNK-UHFFFAOYSA-N
MW315.07 g/mol
LogP2.83
Rot. Bonds2

About 1-(2-bromo-1,1,2,2-tetrafluoroethyl)imidazole;1H-imidazole

1-(2-bromo-1,1,2,2-tetrafluoroethyl)imidazole;1H-imidazole (PubChem CID 162234021) has the molecular formula C8H7BrF4N4 and a molecular weight of 315.07 g/mol. Its IUPAC name is 1-(2-bromo-1,1,2,2-tetrafluoroethyl)imidazole;1H-imidazole.

Molecular Properties

Compound Name1-(2-bromo-1,1,2,2-tetrafluoroethyl)imidazole;1H-imidazole
PubChem CID162234021
Molecular FormulaC8H7BrF4N4
Molecular Weight315.07 g/mol
Exact Mass313.98
IUPAC Name1-(2-bromo-1,1,2,2-tetrafluoroethyl)imidazole;1H-imidazole
SMILESFC(F)(Br)C(F)(F)n1ccnc1.c1c[nH]cn1
InChIInChI=1S/C5H3BrF4N2.C3H4N2/c6-4(7,8)5(9,10)12-2-1-11-3-12;1-2-5-3-4-1/h1-3H;1-3H,(H,4,5)
InChIKeyZVVAURHJHUXNNK-UHFFFAOYSA-N
XLogP2.83
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.07
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-1,1,2,2-tetrafluoroethyl)imidazole;1H-imidazole?
The IUPAC name of 1-(2-bromo-1,1,2,2-tetrafluoroethyl)imidazole;1H-imidazole (CID 162234021) is 1-(2-bromo-1,1,2,2-tetrafluoroethyl)imidazole;1H-imidazole.
What is the SMILES notation for 1-(2-bromo-1,1,2,2-tetrafluoroethyl)imidazole;1H-imidazole?
The canonical SMILES for 1-(2-bromo-1,1,2,2-tetrafluoroethyl)imidazole;1H-imidazole is FC(F)(Br)C(F)(F)n1ccnc1.c1c[nH]cn1.
What is the InChIKey of 1-(2-bromo-1,1,2,2-tetrafluoroethyl)imidazole;1H-imidazole?
The InChIKey is ZVVAURHJHUXNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrF4N2.C3H4N2/c6-4(7,8)5(9,10)12-2-1-11-3-12;1-2-5-3-4-1/h1-3H;1-3H,(H,4,5).
What are the key properties of 1-(2-bromo-1,1,2,2-tetrafluoroethyl)imidazole;1H-imidazole?
1-(2-bromo-1,1,2,2-tetrafluoroethyl)imidazole;1H-imidazole has a molecular weight of 315.07 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-1,1,2,2-tetrafluoroethyl)imidazole;1H-imidazole is sourced from PubChem (CID 162234021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).