6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-benzimidazole

C10H4ClF7N2 — CID 23299

IUPAC6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-benzimidazole
SMILESFC(F)(F)C(F)(F)C(F)(F)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C10H4ClF7N2/c11-4-1-2-5-6(3-4)20-7(19-5)8(12,13)9(14,15)10(16,17)18/h1-3H,(H,19,20)
InChIKeyRVOKGYWHSLJNQR-UHFFFAOYSA-N
MW320.60 g/mol
LogP4.51
Rot. Bonds2

About 6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-benzimidazole

6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-benzimidazole (PubChem CID 23299) has the molecular formula C10H4ClF7N2 and a molecular weight of 320.60 g/mol. Its IUPAC name is 6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-benzimidazole
PubChem CID23299
Molecular FormulaC10H4ClF7N2
Molecular Weight320.60 g/mol
Exact Mass320.00
IUPAC Name6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-benzimidazole
SMILESFC(F)(F)C(F)(F)C(F)(F)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C10H4ClF7N2/c11-4-1-2-5-6(3-4)20-7(19-5)8(12,13)9(14,15)10(16,17)18/h1-3H,(H,19,20)
InChIKeyRVOKGYWHSLJNQR-UHFFFAOYSA-N
XLogP4.51
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.60
LogP ≤ 54.51
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 6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-benzimidazole?
The IUPAC name of 6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-benzimidazole (CID 23299) is 6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-benzimidazole is FC(F)(F)C(F)(F)C(F)(F)c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-benzimidazole?
The InChIKey is RVOKGYWHSLJNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF7N2/c11-4-1-2-5-6(3-4)20-7(19-5)8(12,13)9(14,15)10(16,17)18/h1-3H,(H,19,20).
What are the key properties of 6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-benzimidazole?
6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-benzimidazole has a molecular weight of 320.60 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-benzimidazole is sourced from PubChem (CID 23299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).