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

C11H10F3N3O — CID 86816529

IUPAC1-[2-[2-(trifluoromethyl)phenoxy]ethyl]triazole
SMILESFC(F)(F)c1ccccc1OCCn1ccnn1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)9-3-1-2-4-10(9)18-8-7-17-6-5-15-16-17/h1-6H,7-8H2
InChIKeyLHVDFQQLTLUNTM-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.38
Rot. Bonds4

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

1-[2-[2-(trifluoromethyl)phenoxy]ethyl]triazole (PubChem CID 86816529) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is 1-[2-[2-(trifluoromethyl)phenoxy]ethyl]triazole.

Molecular Properties

Compound Name1-[2-[2-(trifluoromethyl)phenoxy]ethyl]triazole
PubChem CID86816529
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC Name1-[2-[2-(trifluoromethyl)phenoxy]ethyl]triazole
SMILESFC(F)(F)c1ccccc1OCCn1ccnn1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)9-3-1-2-4-10(9)18-8-7-17-6-5-15-16-17/h1-6H,7-8H2
InChIKeyLHVDFQQLTLUNTM-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-[2-(trifluoromethyl)phenoxy]ethyl]triazole?
The IUPAC name of 1-[2-[2-(trifluoromethyl)phenoxy]ethyl]triazole (CID 86816529) is 1-[2-[2-(trifluoromethyl)phenoxy]ethyl]triazole.
What is the SMILES notation for 1-[2-[2-(trifluoromethyl)phenoxy]ethyl]triazole?
The canonical SMILES for 1-[2-[2-(trifluoromethyl)phenoxy]ethyl]triazole is FC(F)(F)c1ccccc1OCCn1ccnn1.
What is the InChIKey of 1-[2-[2-(trifluoromethyl)phenoxy]ethyl]triazole?
The InChIKey is LHVDFQQLTLUNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c12-11(13,14)9-3-1-2-4-10(9)18-8-7-17-6-5-15-16-17/h1-6H,7-8H2.
What are the key properties of 1-[2-[2-(trifluoromethyl)phenoxy]ethyl]triazole?
1-[2-[2-(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-[2-(trifluoromethyl)phenoxy]ethyl]triazole is sourced from PubChem (CID 86816529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).