5-bromo-6-fluoro-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole

C11H9BrF4N2O — CID 103208877

IUPAC5-bromo-6-fluoro-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole
SMILESFc1cc2[nH]c(CCOCC(F)(F)F)nc2cc1Br
InChIInChI=1S/C11H9BrF4N2O/c12-6-3-8-9(4-7(6)13)18-10(17-8)1-2-19-5-11(14,15)16/h3-4H,1-2,5H2,(H,17,18)
InChIKeyQLTYIIKYNVAHLM-UHFFFAOYSA-N
MW341.10 g/mol
LogP3.59
Rot. Bonds4

About 5-bromo-6-fluoro-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole

5-bromo-6-fluoro-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole (PubChem CID 103208877) has the molecular formula C11H9BrF4N2O and a molecular weight of 341.10 g/mol. Its IUPAC name is 5-bromo-6-fluoro-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name5-bromo-6-fluoro-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole
PubChem CID103208877
Molecular FormulaC11H9BrF4N2O
Molecular Weight341.10 g/mol
Exact Mass339.98
IUPAC Name5-bromo-6-fluoro-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole
SMILESFc1cc2[nH]c(CCOCC(F)(F)F)nc2cc1Br
InChIInChI=1S/C11H9BrF4N2O/c12-6-3-8-9(4-7(6)13)18-10(17-8)1-2-19-5-11(14,15)16/h3-4H,1-2,5H2,(H,17,18)
InChIKeyQLTYIIKYNVAHLM-UHFFFAOYSA-N
XLogP3.59
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.10
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole
CID 103208831
5-bromo-6-fluoro-2-octyl-1H-benzimidazole
CID 79631418
5-bromo-2-(4-chlorobutyl)-6-fluoro-1H-benzimidazole
CID 79631505
5-bromo-6-fluoro-2-(methoxymethyl)-1H-benzimidazole
CID 79631603
3-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol
CID 79872462
2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-N-ethylethanamine
CID 79630736
5-bromo-6-fluoro-2-[2-(2-methylphenyl)ethyl]-1H-benzimidazole
CID 79631618
N-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 79630921
5-bromo-6-fluoro-2-(2-pyridin-3-ylethyl)-1H-benzimidazole
CID 114289884
5-bromo-2-(cycloheptylmethyl)-6-fluoro-1H-benzimidazole
CID 114458309
5-bromo-6-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
CID 79631784
4,6-difluoro-2-(2,2,2-trifluoroethoxymethyl)-1H-benzimidazole
CID 103208892

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole?
The IUPAC name of 5-bromo-6-fluoro-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole (CID 103208877) is 5-bromo-6-fluoro-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole.
What is the SMILES notation for 5-bromo-6-fluoro-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole?
The canonical SMILES for 5-bromo-6-fluoro-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole is Fc1cc2[nH]c(CCOCC(F)(F)F)nc2cc1Br.
What is the InChIKey of 5-bromo-6-fluoro-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole?
The InChIKey is QLTYIIKYNVAHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF4N2O/c12-6-3-8-9(4-7(6)13)18-10(17-8)1-2-19-5-11(14,15)16/h3-4H,1-2,5H2,(H,17,18).
What are the key properties of 5-bromo-6-fluoro-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole?
5-bromo-6-fluoro-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole has a molecular weight of 341.10 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole is sourced from PubChem (CID 103208877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).