2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole

C9H13F3N2O — CID 63810837

IUPAC2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole
SMILESCCc1nccn1CCOCC(F)(F)F
InChIInChI=1S/C9H13F3N2O/c1-2-8-13-3-4-14(8)5-6-15-7-9(10,11)12/h3-4H,2,5-7H2,1H3
InChIKeyYTZHAOQHCBBKOJ-UHFFFAOYSA-N
MW222.21 g/mol
LogP2.02
Rot. Bonds5

About 2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole

2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole (PubChem CID 63810837) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole.

Molecular Properties

Compound Name2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole
PubChem CID63810837
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole
SMILESCCc1nccn1CCOCC(F)(F)F
InChIInChI=1S/C9H13F3N2O/c1-2-8-13-3-4-14(8)5-6-15-7-9(10,11)12/h3-4H,2,5-7H2,1H3
InChIKeyYTZHAOQHCBBKOJ-UHFFFAOYSA-N
XLogP2.02
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole?
The IUPAC name of 2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole (CID 63810837) is 2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole.
What is the SMILES notation for 2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole?
The canonical SMILES for 2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole is CCc1nccn1CCOCC(F)(F)F.
What is the InChIKey of 2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole?
The InChIKey is YTZHAOQHCBBKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-2-8-13-3-4-14(8)5-6-15-7-9(10,11)12/h3-4H,2,5-7H2,1H3.
What are the key properties of 2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole?
2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole has a molecular weight of 222.21 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole is sourced from PubChem (CID 63810837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).