2,3-difluoro-1-phenyl-1-(2H-triazol-4-yl)propane-1,2-diol

C11H11F2N3O2 — CID 175470484

IUPAC2,3-difluoro-1-phenyl-1-(2H-triazol-4-yl)propane-1,2-diol
SMILESOC(F)(CF)C(O)(c1ccccc1)c1cn[nH]n1
InChIInChI=1S/C11H11F2N3O2/c12-7-10(13,17)11(18,9-6-14-16-15-9)8-4-2-1-3-5-8/h1-6,17-18H,7H2,(H,14,15,16)
InChIKeyITHCPZSIIAAELP-UHFFFAOYSA-N
MW255.22 g/mol
LogP0.67
Rot. Bonds4

About 2,3-difluoro-1-phenyl-1-(2H-triazol-4-yl)propane-1,2-diol

2,3-difluoro-1-phenyl-1-(2H-triazol-4-yl)propane-1,2-diol (PubChem CID 175470484) has the molecular formula C11H11F2N3O2 and a molecular weight of 255.22 g/mol. Its IUPAC name is 2,3-difluoro-1-phenyl-1-(2H-triazol-4-yl)propane-1,2-diol.

Molecular Properties

Compound Name2,3-difluoro-1-phenyl-1-(2H-triazol-4-yl)propane-1,2-diol
PubChem CID175470484
Molecular FormulaC11H11F2N3O2
Molecular Weight255.22 g/mol
Exact Mass255.08
IUPAC Name2,3-difluoro-1-phenyl-1-(2H-triazol-4-yl)propane-1,2-diol
SMILESOC(F)(CF)C(O)(c1ccccc1)c1cn[nH]n1
InChIInChI=1S/C11H11F2N3O2/c12-7-10(13,17)11(18,9-6-14-16-15-9)8-4-2-1-3-5-8/h1-6,17-18H,7H2,(H,14,15,16)
InChIKeyITHCPZSIIAAELP-UHFFFAOYSA-N
XLogP0.67
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2,3-difluoro-1-phenyl-1-(2H-triazol-4-yl)propane-1,2-diol 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 2,3-difluoro-1-phenyl-1-(2H-triazol-4-yl)propane-1,2-diol?
The IUPAC name of 2,3-difluoro-1-phenyl-1-(2H-triazol-4-yl)propane-1,2-diol (CID 175470484) is 2,3-difluoro-1-phenyl-1-(2H-triazol-4-yl)propane-1,2-diol.
What is the SMILES notation for 2,3-difluoro-1-phenyl-1-(2H-triazol-4-yl)propane-1,2-diol?
The canonical SMILES for 2,3-difluoro-1-phenyl-1-(2H-triazol-4-yl)propane-1,2-diol is OC(F)(CF)C(O)(c1ccccc1)c1cn[nH]n1.
What is the InChIKey of 2,3-difluoro-1-phenyl-1-(2H-triazol-4-yl)propane-1,2-diol?
The InChIKey is ITHCPZSIIAAELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2/c12-7-10(13,17)11(18,9-6-14-16-15-9)8-4-2-1-3-5-8/h1-6,17-18H,7H2,(H,14,15,16).
What are the key properties of 2,3-difluoro-1-phenyl-1-(2H-triazol-4-yl)propane-1,2-diol?
2,3-difluoro-1-phenyl-1-(2H-triazol-4-yl)propane-1,2-diol has a molecular weight of 255.22 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-phenyl-1-(2H-triazol-4-yl)propane-1,2-diol is sourced from PubChem (CID 175470484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).