6-chloro-2-(1,1-difluoroethyl)-1H-benzimidazole

C9H7ClF2N2 — CID 130632057

IUPAC6-chloro-2-(1,1-difluoroethyl)-1H-benzimidazole
SMILESCC(F)(F)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C9H7ClF2N2/c1-9(11,12)8-13-6-3-2-5(10)4-7(6)14-8/h2-4H,1H3,(H,13,14)
InChIKeyLOCWYJLAFBNDRB-UHFFFAOYSA-N
MW216.62 g/mol
LogP3.33
Rot. Bonds1

About 6-chloro-2-(1,1-difluoroethyl)-1H-benzimidazole

6-chloro-2-(1,1-difluoroethyl)-1H-benzimidazole (PubChem CID 130632057) has the molecular formula C9H7ClF2N2 and a molecular weight of 216.62 g/mol. Its IUPAC name is 6-chloro-2-(1,1-difluoroethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(1,1-difluoroethyl)-1H-benzimidazole
PubChem CID130632057
Molecular FormulaC9H7ClF2N2
Molecular Weight216.62 g/mol
Exact Mass216.03
IUPAC Name6-chloro-2-(1,1-difluoroethyl)-1H-benzimidazole
SMILESCC(F)(F)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C9H7ClF2N2/c1-9(11,12)8-13-6-3-2-5(10)4-7(6)14-8/h2-4H,1H3,(H,13,14)
InChIKeyLOCWYJLAFBNDRB-UHFFFAOYSA-N
XLogP3.33
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1,1-difluoroethyl)-1H-benzimidazole?
The IUPAC name of 6-chloro-2-(1,1-difluoroethyl)-1H-benzimidazole (CID 130632057) is 6-chloro-2-(1,1-difluoroethyl)-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-(1,1-difluoroethyl)-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-(1,1-difluoroethyl)-1H-benzimidazole is CC(F)(F)c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-2-(1,1-difluoroethyl)-1H-benzimidazole?
The InChIKey is LOCWYJLAFBNDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2N2/c1-9(11,12)8-13-6-3-2-5(10)4-7(6)14-8/h2-4H,1H3,(H,13,14).
What are the key properties of 6-chloro-2-(1,1-difluoroethyl)-1H-benzimidazole?
6-chloro-2-(1,1-difluoroethyl)-1H-benzimidazole has a molecular weight of 216.62 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1,1-difluoroethyl)-1H-benzimidazole is sourced from PubChem (CID 130632057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).