[1-benzyl-5-(difluoromethyl)triazol-4-yl]methanol

C11H11F2N3O — CID 165139847

IUPAC[1-benzyl-5-(difluoromethyl)triazol-4-yl]methanol
SMILESOCc1nnn(Cc2ccccc2)c1C(F)F
InChIInChI=1S/C11H11F2N3O/c12-11(13)10-9(7-17)14-15-16(10)6-8-4-2-1-3-5-8/h1-5,11,17H,6-7H2
InChIKeyRBLFZULBOCUSPI-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.76
Rot. Bonds4

About [1-benzyl-5-(difluoromethyl)triazol-4-yl]methanol

[1-benzyl-5-(difluoromethyl)triazol-4-yl]methanol (PubChem CID 165139847) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is [1-benzyl-5-(difluoromethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-5-(difluoromethyl)triazol-4-yl]methanol
PubChem CID165139847
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name[1-benzyl-5-(difluoromethyl)triazol-4-yl]methanol
SMILESOCc1nnn(Cc2ccccc2)c1C(F)F
InChIInChI=1S/C11H11F2N3O/c12-11(13)10-9(7-17)14-15-16(10)6-8-4-2-1-3-5-8/h1-5,11,17H,6-7H2
InChIKeyRBLFZULBOCUSPI-UHFFFAOYSA-N
XLogP1.76
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-benzyl-5-(difluoromethyl)triazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-5-(difluoromethyl)triazol-4-yl]methanol?
The IUPAC name of [1-benzyl-5-(difluoromethyl)triazol-4-yl]methanol (CID 165139847) is [1-benzyl-5-(difluoromethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-benzyl-5-(difluoromethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-benzyl-5-(difluoromethyl)triazol-4-yl]methanol is OCc1nnn(Cc2ccccc2)c1C(F)F.
What is the InChIKey of [1-benzyl-5-(difluoromethyl)triazol-4-yl]methanol?
The InChIKey is RBLFZULBOCUSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c12-11(13)10-9(7-17)14-15-16(10)6-8-4-2-1-3-5-8/h1-5,11,17H,6-7H2.
What are the key properties of [1-benzyl-5-(difluoromethyl)triazol-4-yl]methanol?
[1-benzyl-5-(difluoromethyl)triazol-4-yl]methanol has a molecular weight of 239.23 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-5-(difluoromethyl)triazol-4-yl]methanol is sourced from PubChem (CID 165139847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).