1-[4-(2,2,2-trifluoroethoxy)imidazol-1-yl]ethanone

C7H7F3N2O2 — CID 91091809

IUPAC1-[4-(2,2,2-trifluoroethoxy)imidazol-1-yl]ethanone
SMILESCC(=O)n1cnc(OCC(F)(F)F)c1
InChIInChI=1S/C7H7F3N2O2/c1-5(13)12-2-6(11-4-12)14-3-7(8,9)10/h2,4H,3H2,1H3
InChIKeyCWMIBUUBMFBZJA-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.48
Rot. Bonds2

About 1-[4-(2,2,2-trifluoroethoxy)imidazol-1-yl]ethanone

1-[4-(2,2,2-trifluoroethoxy)imidazol-1-yl]ethanone (PubChem CID 91091809) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 1-[4-(2,2,2-trifluoroethoxy)imidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,2,2-trifluoroethoxy)imidazol-1-yl]ethanone
PubChem CID91091809
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name1-[4-(2,2,2-trifluoroethoxy)imidazol-1-yl]ethanone
SMILESCC(=O)n1cnc(OCC(F)(F)F)c1
InChIInChI=1S/C7H7F3N2O2/c1-5(13)12-2-6(11-4-12)14-3-7(8,9)10/h2,4H,3H2,1H3
InChIKeyCWMIBUUBMFBZJA-UHFFFAOYSA-N
XLogP1.48
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2,2,2-trifluoroethoxy)imidazol-1-yl]ethanone 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 1-[4-(2,2,2-trifluoroethoxy)imidazol-1-yl]ethanone?
The IUPAC name of 1-[4-(2,2,2-trifluoroethoxy)imidazol-1-yl]ethanone (CID 91091809) is 1-[4-(2,2,2-trifluoroethoxy)imidazol-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2,2,2-trifluoroethoxy)imidazol-1-yl]ethanone?
The canonical SMILES for 1-[4-(2,2,2-trifluoroethoxy)imidazol-1-yl]ethanone is CC(=O)n1cnc(OCC(F)(F)F)c1.
What is the InChIKey of 1-[4-(2,2,2-trifluoroethoxy)imidazol-1-yl]ethanone?
The InChIKey is CWMIBUUBMFBZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c1-5(13)12-2-6(11-4-12)14-3-7(8,9)10/h2,4H,3H2,1H3.
What are the key properties of 1-[4-(2,2,2-trifluoroethoxy)imidazol-1-yl]ethanone?
1-[4-(2,2,2-trifluoroethoxy)imidazol-1-yl]ethanone has a molecular weight of 208.14 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2,2-trifluoroethoxy)imidazol-1-yl]ethanone is sourced from PubChem (CID 91091809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).