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

C8H4Cl3FN2 — CID 11622976

IUPAC6-fluoro-2-(trichloromethyl)-1H-benzimidazole
SMILESFc1ccc2nc(C(Cl)(Cl)Cl)[nH]c2c1
InChIInChI=1S/C8H4Cl3FN2/c9-8(10,11)7-13-5-2-1-4(12)3-6(5)14-7/h1-3H,(H,13,14)
InChIKeyJATYRDKBUCGUMW-UHFFFAOYSA-N
MW253.49 g/mol
LogP3.53
Rot. Bonds

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

6-fluoro-2-(trichloromethyl)-1H-benzimidazole (PubChem CID 11622976) has the molecular formula C8H4Cl3FN2 and a molecular weight of 253.49 g/mol. Its IUPAC name is 6-fluoro-2-(trichloromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-(trichloromethyl)-1H-benzimidazole
PubChem CID11622976
Molecular FormulaC8H4Cl3FN2
Molecular Weight253.49 g/mol
Exact Mass251.94
IUPAC Name6-fluoro-2-(trichloromethyl)-1H-benzimidazole
SMILESFc1ccc2nc(C(Cl)(Cl)Cl)[nH]c2c1
InChIInChI=1S/C8H4Cl3FN2/c9-8(10,11)7-13-5-2-1-4(12)3-6(5)14-7/h1-3H,(H,13,14)
InChIKeyJATYRDKBUCGUMW-UHFFFAOYSA-N
XLogP3.53
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.49
LogP ≤ 53.53
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 6-fluoro-2-(trichloromethyl)-1H-benzimidazole?
The IUPAC name of 6-fluoro-2-(trichloromethyl)-1H-benzimidazole (CID 11622976) is 6-fluoro-2-(trichloromethyl)-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2-(trichloromethyl)-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2-(trichloromethyl)-1H-benzimidazole is Fc1ccc2nc(C(Cl)(Cl)Cl)[nH]c2c1.
What is the InChIKey of 6-fluoro-2-(trichloromethyl)-1H-benzimidazole?
The InChIKey is JATYRDKBUCGUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl3FN2/c9-8(10,11)7-13-5-2-1-4(12)3-6(5)14-7/h1-3H,(H,13,14).
What are the key properties of 6-fluoro-2-(trichloromethyl)-1H-benzimidazole?
6-fluoro-2-(trichloromethyl)-1H-benzimidazole has a molecular weight of 253.49 g/mol, XLogP of 3.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(trichloromethyl)-1H-benzimidazole is sourced from PubChem (CID 11622976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).