[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol

C10H8F3N3O — CID 56828296

IUPAC[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
SMILESOCc1cn(-c2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)7-1-3-9(4-2-7)16-5-8(6-17)14-15-16/h1-5,17H,6H2
InChIKeyXIMMTQHEBJVYFX-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.78
Rot. Bonds2

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

[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol (PubChem CID 56828296) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is [1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
PubChem CID56828296
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
SMILESOCc1cn(-c2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)7-1-3-9(4-2-7)16-5-8(6-17)14-15-16/h1-5,17H,6H2
InChIKeyXIMMTQHEBJVYFX-UHFFFAOYSA-N
XLogP1.78
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The IUPAC name of [1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol (CID 56828296) is [1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol is OCc1cn(-c2ccc(C(F)(F)F)cc2)nn1.
What is the InChIKey of [1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The InChIKey is XIMMTQHEBJVYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c11-10(12,13)7-1-3-9(4-2-7)16-5-8(6-17)14-15-16/h1-5,17H,6H2.
What are the key properties of [1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol has a molecular weight of 243.19 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol is sourced from PubChem (CID 56828296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).