5-ethyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole

C7H10F3N3O — CID 170028031

IUPAC5-ethyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole
SMILESCCc1ncnn1CCOC(F)(F)F
InChIInChI=1S/C7H10F3N3O/c1-2-6-11-5-12-13(6)3-4-14-7(8,9)10/h5H,2-4H2,1H3
InChIKeyLFZMJFMBUPHHTG-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.38
Rot. Bonds4

About 5-ethyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole

5-ethyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole (PubChem CID 170028031) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is 5-ethyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole.

Molecular Properties

Compound Name5-ethyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole
PubChem CID170028031
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name5-ethyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole
SMILESCCc1ncnn1CCOC(F)(F)F
InChIInChI=1S/C7H10F3N3O/c1-2-6-11-5-12-13(6)3-4-14-7(8,9)10/h5H,2-4H2,1H3
InChIKeyLFZMJFMBUPHHTG-UHFFFAOYSA-N
XLogP1.38
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole?
The IUPAC name of 5-ethyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole (CID 170028031) is 5-ethyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole.
What is the SMILES notation for 5-ethyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole?
The canonical SMILES for 5-ethyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole is CCc1ncnn1CCOC(F)(F)F.
What is the InChIKey of 5-ethyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole?
The InChIKey is LFZMJFMBUPHHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-2-6-11-5-12-13(6)3-4-14-7(8,9)10/h5H,2-4H2,1H3.
What are the key properties of 5-ethyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole?
5-ethyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole has a molecular weight of 209.17 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole is sourced from PubChem (CID 170028031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).