5-[4-(4-fluorophenyl)phenyl]triazolidine-4-carboxylic acid

C15H14FN3O2 — CID 171664113

IUPAC5-[4-(4-fluorophenyl)phenyl]triazolidine-4-carboxylic acid
SMILESO=C(O)C1NNNC1c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FN3O2/c16-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13-14(15(20)21)18-19-17-13/h1-8,13-14,17-19H,(H,20,21)
InChIKeyIOVRFDLTCHMWIJ-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.60
Rot. Bonds3

About 5-[4-(4-fluorophenyl)phenyl]triazolidine-4-carboxylic acid

5-[4-(4-fluorophenyl)phenyl]triazolidine-4-carboxylic acid (PubChem CID 171664113) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)phenyl]triazolidine-4-carboxylic acid.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)phenyl]triazolidine-4-carboxylic acid
PubChem CID171664113
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name5-[4-(4-fluorophenyl)phenyl]triazolidine-4-carboxylic acid
SMILESO=C(O)C1NNNC1c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FN3O2/c16-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13-14(15(20)21)18-19-17-13/h1-8,13-14,17-19H,(H,20,21)
InChIKeyIOVRFDLTCHMWIJ-UHFFFAOYSA-N
XLogP1.60
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-[4-(4-fluorophenyl)phenyl]triazolidine-4-carboxylic acid 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 5-[4-(4-fluorophenyl)phenyl]triazolidine-4-carboxylic acid?
The IUPAC name of 5-[4-(4-fluorophenyl)phenyl]triazolidine-4-carboxylic acid (CID 171664113) is 5-[4-(4-fluorophenyl)phenyl]triazolidine-4-carboxylic acid.
What is the SMILES notation for 5-[4-(4-fluorophenyl)phenyl]triazolidine-4-carboxylic acid?
The canonical SMILES for 5-[4-(4-fluorophenyl)phenyl]triazolidine-4-carboxylic acid is O=C(O)C1NNNC1c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 5-[4-(4-fluorophenyl)phenyl]triazolidine-4-carboxylic acid?
The InChIKey is IOVRFDLTCHMWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c16-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13-14(15(20)21)18-19-17-13/h1-8,13-14,17-19H,(H,20,21).
What are the key properties of 5-[4-(4-fluorophenyl)phenyl]triazolidine-4-carboxylic acid?
5-[4-(4-fluorophenyl)phenyl]triazolidine-4-carboxylic acid has a molecular weight of 287.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)phenyl]triazolidine-4-carboxylic acid is sourced from PubChem (CID 171664113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).