4-chloro-6-fluoro-2-(trichloromethyl)-1H-benzimidazole

C8H3Cl4FN2 — CID 23131920

IUPAC4-chloro-6-fluoro-2-(trichloromethyl)-1H-benzimidazole
SMILESFc1cc(Cl)c2nc(C(Cl)(Cl)Cl)[nH]c2c1
InChIInChI=1S/C8H3Cl4FN2/c9-4-1-3(13)2-5-6(4)15-7(14-5)8(10,11)12/h1-2H,(H,14,15)
InChIKeyCJXWSDLUJCNWCD-UHFFFAOYSA-N
MW287.94 g/mol
LogP4.18
Rot. Bonds

About 4-chloro-6-fluoro-2-(trichloromethyl)-1H-benzimidazole

4-chloro-6-fluoro-2-(trichloromethyl)-1H-benzimidazole (PubChem CID 23131920) has the molecular formula C8H3Cl4FN2 and a molecular weight of 287.94 g/mol. Its IUPAC name is 4-chloro-6-fluoro-2-(trichloromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-chloro-6-fluoro-2-(trichloromethyl)-1H-benzimidazole
PubChem CID23131920
Molecular FormulaC8H3Cl4FN2
Molecular Weight287.94 g/mol
Exact Mass285.90
IUPAC Name4-chloro-6-fluoro-2-(trichloromethyl)-1H-benzimidazole
SMILESFc1cc(Cl)c2nc(C(Cl)(Cl)Cl)[nH]c2c1
InChIInChI=1S/C8H3Cl4FN2/c9-4-1-3(13)2-5-6(4)15-7(14-5)8(10,11)12/h1-2H,(H,14,15)
InChIKeyCJXWSDLUJCNWCD-UHFFFAOYSA-N
XLogP4.18
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.94
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-2-(trichloromethyl)-1H-benzimidazole?
The IUPAC name of 4-chloro-6-fluoro-2-(trichloromethyl)-1H-benzimidazole (CID 23131920) is 4-chloro-6-fluoro-2-(trichloromethyl)-1H-benzimidazole.
What is the SMILES notation for 4-chloro-6-fluoro-2-(trichloromethyl)-1H-benzimidazole?
The canonical SMILES for 4-chloro-6-fluoro-2-(trichloromethyl)-1H-benzimidazole is Fc1cc(Cl)c2nc(C(Cl)(Cl)Cl)[nH]c2c1.
What is the InChIKey of 4-chloro-6-fluoro-2-(trichloromethyl)-1H-benzimidazole?
The InChIKey is CJXWSDLUJCNWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl4FN2/c9-4-1-3(13)2-5-6(4)15-7(14-5)8(10,11)12/h1-2H,(H,14,15).
What are the key properties of 4-chloro-6-fluoro-2-(trichloromethyl)-1H-benzimidazole?
4-chloro-6-fluoro-2-(trichloromethyl)-1H-benzimidazole has a molecular weight of 287.94 g/mol, XLogP of 4.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-2-(trichloromethyl)-1H-benzimidazole is sourced from PubChem (CID 23131920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).