2,2,2-trifluoro-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]ethanone

C10H11F3N4O2 — CID 55092104

IUPAC2,2,2-trifluoro-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]ethanone
SMILESO=C(Cn1cc(C(=O)C(F)(F)F)nn1)N1CCCC1
InChIInChI=1S/C10H11F3N4O2/c11-10(12,13)9(19)7-5-17(15-14-7)6-8(18)16-3-1-2-4-16/h5H,1-4,6H2
InChIKeyFNTKBFUGFDTZFZ-UHFFFAOYSA-N
MW276.22 g/mol
LogP0.65
Rot. Bonds3

About 2,2,2-trifluoro-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]ethanone

2,2,2-trifluoro-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]ethanone (PubChem CID 55092104) has the molecular formula C10H11F3N4O2 and a molecular weight of 276.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]ethanone
PubChem CID55092104
Molecular FormulaC10H11F3N4O2
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC Name2,2,2-trifluoro-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]ethanone
SMILESO=C(Cn1cc(C(=O)C(F)(F)F)nn1)N1CCCC1
InChIInChI=1S/C10H11F3N4O2/c11-10(12,13)9(19)7-5-17(15-14-7)6-8(18)16-3-1-2-4-16/h5H,1-4,6H2
InChIKeyFNTKBFUGFDTZFZ-UHFFFAOYSA-N
XLogP0.65
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]ethanone (CID 55092104) is 2,2,2-trifluoro-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]ethanone is O=C(Cn1cc(C(=O)C(F)(F)F)nn1)N1CCCC1.
What is the InChIKey of 2,2,2-trifluoro-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]ethanone?
The InChIKey is FNTKBFUGFDTZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2/c11-10(12,13)9(19)7-5-17(15-14-7)6-8(18)16-3-1-2-4-16/h5H,1-4,6H2.
What are the key properties of 2,2,2-trifluoro-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]ethanone?
2,2,2-trifluoro-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]ethanone has a molecular weight of 276.22 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]ethanone is sourced from PubChem (CID 55092104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).