2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole

C11H11F3N2O — CID 103208831

IUPAC2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole
SMILESFC(F)(F)COCCc1nc2ccccc2[nH]1
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)7-17-6-5-10-15-8-3-1-2-4-9(8)16-10/h1-4H,5-7H2,(H,15,16)
InChIKeyADXKVSRGVZAPKA-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.68
Rot. Bonds4

About 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole

2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole (PubChem CID 103208831) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole
PubChem CID103208831
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole
SMILESFC(F)(F)COCCc1nc2ccccc2[nH]1
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)7-17-6-5-10-15-8-3-1-2-4-9(8)16-10/h1-4H,5-7H2,(H,15,16)
InChIKeyADXKVSRGVZAPKA-UHFFFAOYSA-N
XLogP2.68
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.68
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-methoxyethoxy)ethoxy]ethyl]-1H-benzimidazole
CID 66737942
CID 87640795
CID 87640795
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86991053
O-[2-(1H-benzimidazol-2-yl)ethyl]hydroxylamine
CID 142734516
5-bromo-6-fluoro-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole
CID 103208877
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
CID 43236517
3-(1H-benzimidazol-2-yl)propyl-trihydroxysilane
CID 70659054
2-(10-phenyldecyl)-1H-benzimidazole
CID 53277780
2-[3-[3-(1H-benzimidazol-2-yl)propyldisulfanyl]propyl]-1H-benzimidazole
CID 14761294
2-docosyl-1H-benzimidazole
CID 141189761
2-(1H-benzimidazol-2-yl)ethyl-trihydroxyphosphanium
CID 70879958

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole?
The IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole (CID 103208831) is 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole?
The canonical SMILES for 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole is FC(F)(F)COCCc1nc2ccccc2[nH]1.
What is the InChIKey of 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole?
The InChIKey is ADXKVSRGVZAPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-11(13,14)7-17-6-5-10-15-8-3-1-2-4-9(8)16-10/h1-4H,5-7H2,(H,15,16).
What are the key properties of 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole?
2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole has a molecular weight of 244.22 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole is sourced from PubChem (CID 103208831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).