2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol

C11H10F3N3O — CID 62399576

IUPAC2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
SMILESOCCc1cn(-c2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)8-1-3-10(4-2-8)17-7-9(5-6-18)15-16-17/h1-4,7,18H,5-6H2
InChIKeyQHMMRUUZZXYJET-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.82
Rot. Bonds3

About 2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol

2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol (PubChem CID 62399576) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is 2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
PubChem CID62399576
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
SMILESOCCc1cn(-c2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)8-1-3-10(4-2-8)17-7-9(5-6-18)15-16-17/h1-4,7,18H,5-6H2
InChIKeyQHMMRUUZZXYJET-UHFFFAOYSA-N
XLogP1.82
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol (CID 62399576) is 2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol is OCCc1cn(-c2ccc(C(F)(F)F)cc2)nn1.
What is the InChIKey of 2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol?
The InChIKey is QHMMRUUZZXYJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c12-11(13,14)8-1-3-10(4-2-8)17-7-9(5-6-18)15-16-17/h1-4,7,18H,5-6H2.
What are the key properties of 2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol?
2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol has a molecular weight of 257.22 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol is sourced from PubChem (CID 62399576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).