6-methylsulfonyl-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole

C10H8F4N2O2S — CID 79660449

IUPAC6-methylsulfonyl-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole
SMILESCS(=O)(=O)c1ccc2nc(C(F)(F)C(F)F)[nH]c2c1
InChIInChI=1S/C10H8F4N2O2S/c1-19(17,18)5-2-3-6-7(4-5)16-9(15-6)10(13,14)8(11)12/h2-4,8H,1H3,(H,15,16)
InChIKeyACUAYYHZSFMHAI-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.32
Rot. Bonds3

About 6-methylsulfonyl-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole

6-methylsulfonyl-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole (PubChem CID 79660449) has the molecular formula C10H8F4N2O2S and a molecular weight of 296.25 g/mol. Its IUPAC name is 6-methylsulfonyl-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-methylsulfonyl-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole
PubChem CID79660449
Molecular FormulaC10H8F4N2O2S
Molecular Weight296.25 g/mol
Exact Mass296.02
IUPAC Name6-methylsulfonyl-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole
SMILESCS(=O)(=O)c1ccc2nc(C(F)(F)C(F)F)[nH]c2c1
InChIInChI=1S/C10H8F4N2O2S/c1-19(17,18)5-2-3-6-7(4-5)16-9(15-6)10(13,14)8(11)12/h2-4,8H,1H3,(H,15,16)
InChIKeyACUAYYHZSFMHAI-UHFFFAOYSA-N
XLogP2.32
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methylsulfonyl-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole?
The IUPAC name of 6-methylsulfonyl-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole (CID 79660449) is 6-methylsulfonyl-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole.
What is the SMILES notation for 6-methylsulfonyl-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole?
The canonical SMILES for 6-methylsulfonyl-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole is CS(=O)(=O)c1ccc2nc(C(F)(F)C(F)F)[nH]c2c1.
What is the InChIKey of 6-methylsulfonyl-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole?
The InChIKey is ACUAYYHZSFMHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4N2O2S/c1-19(17,18)5-2-3-6-7(4-5)16-9(15-6)10(13,14)8(11)12/h2-4,8H,1H3,(H,15,16).
What are the key properties of 6-methylsulfonyl-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole?
6-methylsulfonyl-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole has a molecular weight of 296.25 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole is sourced from PubChem (CID 79660449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).