1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]triazole

C5H3F6N3O — CID 24880354

IUPAC1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]triazole
SMILESFC(OC(F)(F)F)C(F)(F)n1ccnn1
InChIInChI=1S/C5H3F6N3O/c6-3(15-5(9,10)11)4(7,8)14-2-1-12-13-14/h1-3H
InChIKeyLRMVIBAJUMRCMD-UHFFFAOYSA-N
MW235.09 g/mol
LogP1.66
Rot. Bonds3

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

1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]triazole (PubChem CID 24880354) has the molecular formula C5H3F6N3O and a molecular weight of 235.09 g/mol. Its IUPAC name is 1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]triazole.

Molecular Properties

Compound Name1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]triazole
PubChem CID24880354
Molecular FormulaC5H3F6N3O
Molecular Weight235.09 g/mol
Exact Mass235.02
IUPAC Name1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]triazole
SMILESFC(OC(F)(F)F)C(F)(F)n1ccnn1
InChIInChI=1S/C5H3F6N3O/c6-3(15-5(9,10)11)4(7,8)14-2-1-12-13-14/h1-3H
InChIKeyLRMVIBAJUMRCMD-UHFFFAOYSA-N
XLogP1.66
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.09
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]triazole?
The IUPAC name of 1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]triazole (CID 24880354) is 1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]triazole.
What is the SMILES notation for 1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]triazole?
The canonical SMILES for 1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]triazole is FC(OC(F)(F)F)C(F)(F)n1ccnn1.
What is the InChIKey of 1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]triazole?
The InChIKey is LRMVIBAJUMRCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F6N3O/c6-3(15-5(9,10)11)4(7,8)14-2-1-12-13-14/h1-3H.
What are the key properties of 1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]triazole?
1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]triazole has a molecular weight of 235.09 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]triazole is sourced from PubChem (CID 24880354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).