2-(triazol-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide

C6H7F3N4O2 — CID 81343511

IUPAC2-(triazol-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(Cn1ccnn1)NOCC(F)(F)F
InChIInChI=1S/C6H7F3N4O2/c7-6(8,9)4-15-11-5(14)3-13-2-1-10-12-13/h1-2H,3-4H2,(H,11,14)
InChIKeyAFSWPRSPAIQJJS-UHFFFAOYSA-N
MW224.14 g/mol
LogP-0.11
Rot. Bonds4

About 2-(triazol-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide

2-(triazol-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 81343511) has the molecular formula C6H7F3N4O2 and a molecular weight of 224.14 g/mol. Its IUPAC name is 2-(triazol-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound Name2-(triazol-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide
PubChem CID81343511
Molecular FormulaC6H7F3N4O2
Molecular Weight224.14 g/mol
Exact Mass224.05
IUPAC Name2-(triazol-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(Cn1ccnn1)NOCC(F)(F)F
InChIInChI=1S/C6H7F3N4O2/c7-6(8,9)4-15-11-5(14)3-13-2-1-10-12-13/h1-2H,3-4H2,(H,11,14)
InChIKeyAFSWPRSPAIQJJS-UHFFFAOYSA-N
XLogP-0.11
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(triazol-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of 2-(triazol-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide (CID 81343511) is 2-(triazol-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for 2-(triazol-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for 2-(triazol-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide is O=C(Cn1ccnn1)NOCC(F)(F)F.
What is the InChIKey of 2-(triazol-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is AFSWPRSPAIQJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O2/c7-6(8,9)4-15-11-5(14)3-13-2-1-10-12-13/h1-2H,3-4H2,(H,11,14).
What are the key properties of 2-(triazol-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide?
2-(triazol-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 224.14 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triazol-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 81343511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).