bis(4-fluorophenyl)-(2H-triazol-4-yl)methanol

C15H11F2N3O — CID 129188816

IUPACbis(4-fluorophenyl)-(2H-triazol-4-yl)methanol
SMILESOC(c1ccc(F)cc1)(c1ccc(F)cc1)c1cn[nH]n1
InChIInChI=1S/C15H11F2N3O/c16-12-5-1-10(2-6-12)15(21,14-9-18-20-19-14)11-3-7-13(17)8-4-11/h1-9,21H,(H,18,19,20)
InChIKeyXDLWDJSIQGOSOE-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.37
Rot. Bonds3

About bis(4-fluorophenyl)-(2H-triazol-4-yl)methanol

bis(4-fluorophenyl)-(2H-triazol-4-yl)methanol (PubChem CID 129188816) has the molecular formula C15H11F2N3O and a molecular weight of 287.27 g/mol. Its IUPAC name is bis(4-fluorophenyl)-(2H-triazol-4-yl)methanol.

Molecular Properties

Compound Namebis(4-fluorophenyl)-(2H-triazol-4-yl)methanol
PubChem CID129188816
Molecular FormulaC15H11F2N3O
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Namebis(4-fluorophenyl)-(2H-triazol-4-yl)methanol
SMILESOC(c1ccc(F)cc1)(c1ccc(F)cc1)c1cn[nH]n1
InChIInChI=1S/C15H11F2N3O/c16-12-5-1-10(2-6-12)15(21,14-9-18-20-19-14)11-3-7-13(17)8-4-11/h1-9,21H,(H,18,19,20)
InChIKeyXDLWDJSIQGOSOE-UHFFFAOYSA-N
XLogP2.37
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(4-fluorophenyl)-(2H-triazol-4-yl)methanol?
The IUPAC name of bis(4-fluorophenyl)-(2H-triazol-4-yl)methanol (CID 129188816) is bis(4-fluorophenyl)-(2H-triazol-4-yl)methanol.
What is the SMILES notation for bis(4-fluorophenyl)-(2H-triazol-4-yl)methanol?
The canonical SMILES for bis(4-fluorophenyl)-(2H-triazol-4-yl)methanol is OC(c1ccc(F)cc1)(c1ccc(F)cc1)c1cn[nH]n1.
What is the InChIKey of bis(4-fluorophenyl)-(2H-triazol-4-yl)methanol?
The InChIKey is XDLWDJSIQGOSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O/c16-12-5-1-10(2-6-12)15(21,14-9-18-20-19-14)11-3-7-13(17)8-4-11/h1-9,21H,(H,18,19,20).
What are the key properties of bis(4-fluorophenyl)-(2H-triazol-4-yl)methanol?
bis(4-fluorophenyl)-(2H-triazol-4-yl)methanol has a molecular weight of 287.27 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)-(2H-triazol-4-yl)methanol is sourced from PubChem (CID 129188816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).