[(4-fluorophenyl)-[(2-fluorophenyl)methylamino]methyl]phosphonic acid

C14H14F2NO3P — CID 42950570

IUPAC[(4-fluorophenyl)-[(2-fluorophenyl)methylamino]methyl]phosphonic acid
SMILESO=P(O)(O)C(NCc1ccccc1F)c1ccc(F)cc1
InChIInChI=1S/C14H14F2NO3P/c15-12-7-5-10(6-8-12)14(21(18,19)20)17-9-11-3-1-2-4-13(11)16/h1-8,14,17H,9H2,(H2,18,19,20)
InChIKeyJDKHDWHECVNQOJ-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.93
Rot. Bonds5

About [(4-fluorophenyl)-[(2-fluorophenyl)methylamino]methyl]phosphonic acid

[(4-fluorophenyl)-[(2-fluorophenyl)methylamino]methyl]phosphonic acid (PubChem CID 42950570) has the molecular formula C14H14F2NO3P and a molecular weight of 313.24 g/mol. Its IUPAC name is [(4-fluorophenyl)-[(2-fluorophenyl)methylamino]methyl]phosphonic acid.

Molecular Properties

Compound Name[(4-fluorophenyl)-[(2-fluorophenyl)methylamino]methyl]phosphonic acid
PubChem CID42950570
Molecular FormulaC14H14F2NO3P
Molecular Weight313.24 g/mol
Exact Mass313.07
IUPAC Name[(4-fluorophenyl)-[(2-fluorophenyl)methylamino]methyl]phosphonic acid
SMILESO=P(O)(O)C(NCc1ccccc1F)c1ccc(F)cc1
InChIInChI=1S/C14H14F2NO3P/c15-12-7-5-10(6-8-12)14(21(18,19)20)17-9-11-3-1-2-4-13(11)16/h1-8,14,17H,9H2,(H2,18,19,20)
InChIKeyJDKHDWHECVNQOJ-UHFFFAOYSA-N
XLogP2.93
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(4-fluorophenyl)-[(2-fluorophenyl)methylamino]methyl]phosphonic 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 [(4-fluorophenyl)-[(2-fluorophenyl)methylamino]methyl]phosphonic acid?
The IUPAC name of [(4-fluorophenyl)-[(2-fluorophenyl)methylamino]methyl]phosphonic acid (CID 42950570) is [(4-fluorophenyl)-[(2-fluorophenyl)methylamino]methyl]phosphonic acid.
What is the SMILES notation for [(4-fluorophenyl)-[(2-fluorophenyl)methylamino]methyl]phosphonic acid?
The canonical SMILES for [(4-fluorophenyl)-[(2-fluorophenyl)methylamino]methyl]phosphonic acid is O=P(O)(O)C(NCc1ccccc1F)c1ccc(F)cc1.
What is the InChIKey of [(4-fluorophenyl)-[(2-fluorophenyl)methylamino]methyl]phosphonic acid?
The InChIKey is JDKHDWHECVNQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2NO3P/c15-12-7-5-10(6-8-12)14(21(18,19)20)17-9-11-3-1-2-4-13(11)16/h1-8,14,17H,9H2,(H2,18,19,20).
What are the key properties of [(4-fluorophenyl)-[(2-fluorophenyl)methylamino]methyl]phosphonic acid?
[(4-fluorophenyl)-[(2-fluorophenyl)methylamino]methyl]phosphonic acid has a molecular weight of 313.24 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-fluorophenyl)-[(2-fluorophenyl)methylamino]methyl]phosphonic acid is sourced from PubChem (CID 42950570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).