5-bromo-6-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole

C9H3BrF6N2 — CID 79631784

IUPAC5-bromo-6-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
SMILESFc1cc2[nH]c(C(F)(F)C(F)(F)F)nc2cc1Br
InChIInChI=1S/C9H3BrF6N2/c10-3-1-5-6(2-4(3)11)18-7(17-5)8(12,13)9(14,15)16/h1-2H,(H,17,18)
InChIKeyMAQCQESMONVXLE-UHFFFAOYSA-N
MW333.03 g/mol
LogP4.12
Rot. Bonds1

About 5-bromo-6-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole

5-bromo-6-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole (PubChem CID 79631784) has the molecular formula C9H3BrF6N2 and a molecular weight of 333.03 g/mol. Its IUPAC name is 5-bromo-6-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole.

Molecular Properties

Compound Name5-bromo-6-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
PubChem CID79631784
Molecular FormulaC9H3BrF6N2
Molecular Weight333.03 g/mol
Exact Mass331.94
IUPAC Name5-bromo-6-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
SMILESFc1cc2[nH]c(C(F)(F)C(F)(F)F)nc2cc1Br
InChIInChI=1S/C9H3BrF6N2/c10-3-1-5-6(2-4(3)11)18-7(17-5)8(12,13)9(14,15)16/h1-2H,(H,17,18)
InChIKeyMAQCQESMONVXLE-UHFFFAOYSA-N
XLogP4.12
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.03
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole?
The IUPAC name of 5-bromo-6-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole (CID 79631784) is 5-bromo-6-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole.
What is the SMILES notation for 5-bromo-6-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole?
The canonical SMILES for 5-bromo-6-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole is Fc1cc2[nH]c(C(F)(F)C(F)(F)F)nc2cc1Br.
What is the InChIKey of 5-bromo-6-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole?
The InChIKey is MAQCQESMONVXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3BrF6N2/c10-3-1-5-6(2-4(3)11)18-7(17-5)8(12,13)9(14,15)16/h1-2H,(H,17,18).
What are the key properties of 5-bromo-6-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole?
5-bromo-6-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole has a molecular weight of 333.03 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole is sourced from PubChem (CID 79631784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).