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

C12H12F3N3O — CID 55067329

IUPAC2-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol
SMILESOCCc1cn(Cc2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C12H12F3N3O/c13-12(14,15)10-3-1-9(2-4-10)7-18-8-11(5-6-19)16-17-18/h1-4,8,19H,5-7H2
InChIKeyBXBXGZPLIKPFFF-UHFFFAOYSA-N
MW271.24 g/mol
LogP1.88
Rot. Bonds4

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

2-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol (PubChem CID 55067329) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 2-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol
PubChem CID55067329
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name2-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol
SMILESOCCc1cn(Cc2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C12H12F3N3O/c13-12(14,15)10-3-1-9(2-4-10)7-18-8-11(5-6-19)16-17-18/h1-4,8,19H,5-7H2
InChIKeyBXBXGZPLIKPFFF-UHFFFAOYSA-N
XLogP1.88
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 51.88
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]methyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol (CID 55067329) is 2-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol is OCCc1cn(Cc2ccc(C(F)(F)F)cc2)nn1.
What is the InChIKey of 2-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol?
The InChIKey is BXBXGZPLIKPFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c13-12(14,15)10-3-1-9(2-4-10)7-18-8-11(5-6-19)16-17-18/h1-4,8,19H,5-7H2.
What are the key properties of 2-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol?
2-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol has a molecular weight of 271.24 g/mol, XLogP of 1.88, 4 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]methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 55067329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).