1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol

C16H13F2N3O — CID 54291226

IUPAC1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol
SMILESOC(Cc1ncn[nH]1)(c1ccc(F)cc1)c1ccccc1F
InChIInChI=1S/C16H13F2N3O/c17-12-7-5-11(6-8-12)16(22,9-15-19-10-20-21-15)13-3-1-2-4-14(13)18/h1-8,10,22H,9H2,(H,19,20,21)
InChIKeyRXQLCHCYSJNOMS-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.56
Rot. Bonds4

About 1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol

1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol (PubChem CID 54291226) has the molecular formula C16H13F2N3O and a molecular weight of 301.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol
PubChem CID54291226
Molecular FormulaC16H13F2N3O
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol
SMILESOC(Cc1ncn[nH]1)(c1ccc(F)cc1)c1ccccc1F
InChIInChI=1S/C16H13F2N3O/c17-12-7-5-11(6-8-12)16(22,9-15-19-10-20-21-15)13-3-1-2-4-14(13)18/h1-8,10,22H,9H2,(H,19,20,21)
InChIKeyRXQLCHCYSJNOMS-UHFFFAOYSA-N
XLogP2.56
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol 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-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol?
The IUPAC name of 1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol (CID 54291226) is 1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol is OC(Cc1ncn[nH]1)(c1ccc(F)cc1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol?
The InChIKey is RXQLCHCYSJNOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O/c17-12-7-5-11(6-8-12)16(22,9-15-19-10-20-21-15)13-3-1-2-4-14(13)18/h1-8,10,22H,9H2,(H,19,20,21).
What are the key properties of 1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol?
1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol has a molecular weight of 301.30 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol is sourced from PubChem (CID 54291226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).