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

C10H8F3N3O2 — CID 56769235

IUPAC[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]methanol
SMILESOCc1cn(-c2ccc(OC(F)(F)F)cc2)nn1
InChIInChI=1S/C10H8F3N3O2/c11-10(12,13)18-9-3-1-8(2-4-9)16-5-7(6-17)14-15-16/h1-5,17H,6H2
InChIKeyCMLDHUVVBYGBIE-UHFFFAOYSA-N
MW259.19 g/mol
LogP1.66
Rot. Bonds3

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

[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]methanol (PubChem CID 56769235) has the molecular formula C10H8F3N3O2 and a molecular weight of 259.19 g/mol. Its IUPAC name is [1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]methanol
PubChem CID56769235
Molecular FormulaC10H8F3N3O2
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Name[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]methanol
SMILESOCc1cn(-c2ccc(OC(F)(F)F)cc2)nn1
InChIInChI=1S/C10H8F3N3O2/c11-10(12,13)18-9-3-1-8(2-4-9)16-5-7(6-17)14-15-16/h1-5,17H,6H2
InChIKeyCMLDHUVVBYGBIE-UHFFFAOYSA-N
XLogP1.66
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]methanol?
The IUPAC name of [1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]methanol (CID 56769235) is [1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]methanol is OCc1cn(-c2ccc(OC(F)(F)F)cc2)nn1.
What is the InChIKey of [1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]methanol?
The InChIKey is CMLDHUVVBYGBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2/c11-10(12,13)18-9-3-1-8(2-4-9)16-5-7(6-17)14-15-16/h1-5,17H,6H2.
What are the key properties of [1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]methanol?
[1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]methanol has a molecular weight of 259.19 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(trifluoromethoxy)phenyl]triazol-4-yl]methanol is sourced from PubChem (CID 56769235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).