4-fluoro-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole

C9H5F5N2 — CID 79660905

IUPAC4-fluoro-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole
SMILESFc1cccc2[nH]c(C(F)(F)C(F)F)nc12
InChIInChI=1S/C9H5F5N2/c10-4-2-1-3-5-6(4)16-8(15-5)9(13,14)7(11)12/h1-3,7H,(H,15,16)
InChIKeyDQISBABABZNEEL-UHFFFAOYSA-N
MW236.14 g/mol
LogP3.06
Rot. Bonds2

About 4-fluoro-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole

4-fluoro-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole (PubChem CID 79660905) has the molecular formula C9H5F5N2 and a molecular weight of 236.14 g/mol. Its IUPAC name is 4-fluoro-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-fluoro-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole
PubChem CID79660905
Molecular FormulaC9H5F5N2
Molecular Weight236.14 g/mol
Exact Mass236.04
IUPAC Name4-fluoro-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole
SMILESFc1cccc2[nH]c(C(F)(F)C(F)F)nc12
InChIInChI=1S/C9H5F5N2/c10-4-2-1-3-5-6(4)16-8(15-5)9(13,14)7(11)12/h1-3,7H,(H,15,16)
InChIKeyDQISBABABZNEEL-UHFFFAOYSA-N
XLogP3.06
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole?
The IUPAC name of 4-fluoro-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole (CID 79660905) is 4-fluoro-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole.
What is the SMILES notation for 4-fluoro-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole?
The canonical SMILES for 4-fluoro-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole is Fc1cccc2[nH]c(C(F)(F)C(F)F)nc12.
What is the InChIKey of 4-fluoro-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole?
The InChIKey is DQISBABABZNEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F5N2/c10-4-2-1-3-5-6(4)16-8(15-5)9(13,14)7(11)12/h1-3,7H,(H,15,16).
What are the key properties of 4-fluoro-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole?
4-fluoro-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole has a molecular weight of 236.14 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole is sourced from PubChem (CID 79660905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).