1-[2-[4-(trifluoromethyl)phenoxy]ethyl]triazole

C11H10F3N3O — CID 91661154

IUPAC1-[2-[4-(trifluoromethyl)phenoxy]ethyl]triazole
SMILESFC(F)(F)c1ccc(OCCn2ccnn2)cc1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)9-1-3-10(4-2-9)18-8-7-17-6-5-15-16-17/h1-6H,7-8H2
InChIKeyDXEAYYJSQBTSEJ-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.38
Rot. Bonds4

About 1-[2-[4-(trifluoromethyl)phenoxy]ethyl]triazole

1-[2-[4-(trifluoromethyl)phenoxy]ethyl]triazole (PubChem CID 91661154) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is 1-[2-[4-(trifluoromethyl)phenoxy]ethyl]triazole.

Molecular Properties

Compound Name1-[2-[4-(trifluoromethyl)phenoxy]ethyl]triazole
PubChem CID91661154
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC Name1-[2-[4-(trifluoromethyl)phenoxy]ethyl]triazole
SMILESFC(F)(F)c1ccc(OCCn2ccnn2)cc1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)9-1-3-10(4-2-9)18-8-7-17-6-5-15-16-17/h1-6H,7-8H2
InChIKeyDXEAYYJSQBTSEJ-UHFFFAOYSA-N
XLogP2.38
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(trifluoromethyl)phenoxy]ethyl]triazole?
The IUPAC name of 1-[2-[4-(trifluoromethyl)phenoxy]ethyl]triazole (CID 91661154) is 1-[2-[4-(trifluoromethyl)phenoxy]ethyl]triazole.
What is the SMILES notation for 1-[2-[4-(trifluoromethyl)phenoxy]ethyl]triazole?
The canonical SMILES for 1-[2-[4-(trifluoromethyl)phenoxy]ethyl]triazole is FC(F)(F)c1ccc(OCCn2ccnn2)cc1.
What is the InChIKey of 1-[2-[4-(trifluoromethyl)phenoxy]ethyl]triazole?
The InChIKey is DXEAYYJSQBTSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c12-11(13,14)9-1-3-10(4-2-9)18-8-7-17-6-5-15-16-17/h1-6H,7-8H2.
What are the key properties of 1-[2-[4-(trifluoromethyl)phenoxy]ethyl]triazole?
1-[2-[4-(trifluoromethyl)phenoxy]ethyl]triazole has a molecular weight of 257.21 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(trifluoromethyl)phenoxy]ethyl]triazole is sourced from PubChem (CID 91661154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).