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

C7H8F3N3O2 — CID 62581068

IUPAC2,2,2-trifluoro-1-[1-(2-methoxyethyl)triazol-4-yl]ethanone
SMILESCOCCn1cc(C(=O)C(F)(F)F)nn1
InChIInChI=1S/C7H8F3N3O2/c1-15-3-2-13-4-5(11-12-13)6(14)7(8,9)10/h4H,2-3H2,1H3
InChIKeyYFSYFCOJVABBLG-UHFFFAOYSA-N
MW223.15 g/mol
LogP0.67
Rot. Bonds4

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

2,2,2-trifluoro-1-[1-(2-methoxyethyl)triazol-4-yl]ethanone (PubChem CID 62581068) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-(2-methoxyethyl)triazol-4-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-(2-methoxyethyl)triazol-4-yl]ethanone
PubChem CID62581068
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC Name2,2,2-trifluoro-1-[1-(2-methoxyethyl)triazol-4-yl]ethanone
SMILESCOCCn1cc(C(=O)C(F)(F)F)nn1
InChIInChI=1S/C7H8F3N3O2/c1-15-3-2-13-4-5(11-12-13)6(14)7(8,9)10/h4H,2-3H2,1H3
InChIKeyYFSYFCOJVABBLG-UHFFFAOYSA-N
XLogP0.67
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 50.67
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-methoxyethyl)triazol-4-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[1-(2-methoxyethyl)triazol-4-yl]ethanone (CID 62581068) is 2,2,2-trifluoro-1-[1-(2-methoxyethyl)triazol-4-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-(2-methoxyethyl)triazol-4-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[1-(2-methoxyethyl)triazol-4-yl]ethanone is COCCn1cc(C(=O)C(F)(F)F)nn1.
What is the InChIKey of 2,2,2-trifluoro-1-[1-(2-methoxyethyl)triazol-4-yl]ethanone?
The InChIKey is YFSYFCOJVABBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c1-15-3-2-13-4-5(11-12-13)6(14)7(8,9)10/h4H,2-3H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[1-(2-methoxyethyl)triazol-4-yl]ethanone?
2,2,2-trifluoro-1-[1-(2-methoxyethyl)triazol-4-yl]ethanone has a molecular weight of 223.15 g/mol, XLogP of 0.67, 4 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-methoxyethyl)triazol-4-yl]ethanone is sourced from PubChem (CID 62581068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).