1-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one

C8H9F3N2O2 — CID 103206576

IUPAC1-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
SMILESO=C(COCC(F)(F)F)Cc1ncc[nH]1
InChIInChI=1S/C8H9F3N2O2/c9-8(10,11)5-15-4-6(14)3-7-12-1-2-13-7/h1-2H,3-5H2,(H,12,13)
InChIKeyAPLCFWBCRSFYEC-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.10
Rot. Bonds5

About 1-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one

1-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one (PubChem CID 103206576) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
PubChem CID103206576
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name1-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
SMILESO=C(COCC(F)(F)F)Cc1ncc[nH]1
InChIInChI=1S/C8H9F3N2O2/c9-8(10,11)5-15-4-6(14)3-7-12-1-2-13-7/h1-2H,3-5H2,(H,12,13)
InChIKeyAPLCFWBCRSFYEC-UHFFFAOYSA-N
XLogP1.10
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one 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-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one?
The IUPAC name of 1-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one (CID 103206576) is 1-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one?
The canonical SMILES for 1-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one is O=C(COCC(F)(F)F)Cc1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one?
The InChIKey is APLCFWBCRSFYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c9-8(10,11)5-15-4-6(14)3-7-12-1-2-13-7/h1-2H,3-5H2,(H,12,13).
What are the key properties of 1-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one?
1-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one has a molecular weight of 222.17 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one is sourced from PubChem (CID 103206576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).