2,2,2-trifluoro-1-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]ethanone

C10H10F3N5O — CID 55092005

IUPAC2,2,2-trifluoro-1-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]ethanone
SMILESCc1nccn1CCn1cc(C(=O)C(F)(F)F)nn1
InChIInChI=1S/C10H10F3N5O/c1-7-14-2-3-17(7)4-5-18-6-8(15-16-18)9(19)10(11,12)13/h2-3,6H,4-5H2,1H3
InChIKeyKPCJWZQQSLMWHE-UHFFFAOYSA-N
MW273.22 g/mol
LogP1.23
Rot. Bonds4

About 2,2,2-trifluoro-1-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]ethanone

2,2,2-trifluoro-1-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]ethanone (PubChem CID 55092005) has the molecular formula C10H10F3N5O and a molecular weight of 273.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]ethanone
PubChem CID55092005
Molecular FormulaC10H10F3N5O
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC Name2,2,2-trifluoro-1-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]ethanone
SMILESCc1nccn1CCn1cc(C(=O)C(F)(F)F)nn1
InChIInChI=1S/C10H10F3N5O/c1-7-14-2-3-17(7)4-5-18-6-8(15-16-18)9(19)10(11,12)13/h2-3,6H,4-5H2,1H3
InChIKeyKPCJWZQQSLMWHE-UHFFFAOYSA-N
XLogP1.23
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,2,2-trifluoro-1-[1-(2-fluoroethyl)triazol-4-yl]ethanone
CID 80694821
2,2,2-trifluoro-1-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanone
CID 64566160
2-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]propan-2-amine
CID 63999143
2,2,2-trifluoro-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazol-4-yl]ethanone
CID 62582335
2,2,2-trifluoro-1-[1-(2-propan-2-yloxyethyl)triazol-4-yl]ethanone
CID 62579797
2,2,2-trifluoro-1-[1-[(3-methyl-2-pyridinyl)methyl]triazol-4-yl]ethanone
CID 112651297
1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]-2,2,2-trifluoroethanone
CID 62581061
1-[2-(2-ethylimidazol-1-yl)ethyl]triazole-4-carboxylic acid
CID 61347325
1-[1-(2-ethylbutyl)triazol-4-yl]-2,2,2-trifluoroethanone
CID 82930284
1-ethyl-2-methylimidazole;2,2,2-trifluoroacetic acid
CID 171928929
1-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]-2,2,2-trifluoroethanone
CID 62581074
2,2,2-trifluoro-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanone
CID 55092155

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]ethanone (CID 55092005) is 2,2,2-trifluoro-1-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]ethanone is Cc1nccn1CCn1cc(C(=O)C(F)(F)F)nn1.
What is the InChIKey of 2,2,2-trifluoro-1-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]ethanone?
The InChIKey is KPCJWZQQSLMWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O/c1-7-14-2-3-17(7)4-5-18-6-8(15-16-18)9(19)10(11,12)13/h2-3,6H,4-5H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]ethanone?
2,2,2-trifluoro-1-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]ethanone has a molecular weight of 273.22 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-yl]ethanone is sourced from PubChem (CID 55092005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).