2-(4-formylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C8H8F3N3O2 — CID 106716481

IUPAC2-(4-formylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=Cc1cn(CC(=O)NCC(F)(F)F)cn1
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)4-12-7(16)2-14-1-6(3-15)13-5-14/h1,3,5H,2,4H2,(H,12,16)
InChIKeyLCEHKRMXFFQJLX-UHFFFAOYSA-N
MW235.16 g/mol
LogP0.37
Rot. Bonds4

About 2-(4-formylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-formylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 106716481) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 2-(4-formylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-formylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID106716481
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Name2-(4-formylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=Cc1cn(CC(=O)NCC(F)(F)F)cn1
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)4-12-7(16)2-14-1-6(3-15)13-5-14/h1,3,5H,2,4H2,(H,12,16)
InChIKeyLCEHKRMXFFQJLX-UHFFFAOYSA-N
XLogP0.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-formylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-formylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 106716481) is 2-(4-formylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-formylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-formylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=Cc1cn(CC(=O)NCC(F)(F)F)cn1.
What is the InChIKey of 2-(4-formylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is LCEHKRMXFFQJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c9-8(10,11)4-12-7(16)2-14-1-6(3-15)13-5-14/h1,3,5H,2,4H2,(H,12,16).
What are the key properties of 2-(4-formylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-formylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 235.16 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 106716481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).