ethoxy-[(4-fluorophenyl)methyl]phosphinic acid

C9H12FO3P — CID 23273930

IUPACethoxy-[(4-fluorophenyl)methyl]phosphinic acid
SMILESCCOP(=O)(O)Cc1ccc(F)cc1
InChIInChI=1S/C9H12FO3P/c1-2-13-14(11,12)7-8-3-5-9(10)6-4-8/h3-6H,2,7H2,1H3,(H,11,12)
InChIKeyZUXZCTFOVXYRTI-UHFFFAOYSA-N
MW218.16 g/mol
LogP2.55
Rot. Bonds4

About ethoxy-[(4-fluorophenyl)methyl]phosphinic acid

ethoxy-[(4-fluorophenyl)methyl]phosphinic acid (PubChem CID 23273930) has the molecular formula C9H12FO3P and a molecular weight of 218.16 g/mol. Its IUPAC name is ethoxy-[(4-fluorophenyl)methyl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[(4-fluorophenyl)methyl]phosphinic acid
PubChem CID23273930
Molecular FormulaC9H12FO3P
Molecular Weight218.16 g/mol
Exact Mass218.05
IUPAC Nameethoxy-[(4-fluorophenyl)methyl]phosphinic acid
SMILESCCOP(=O)(O)Cc1ccc(F)cc1
InChIInChI=1S/C9H12FO3P/c1-2-13-14(11,12)7-8-3-5-9(10)6-4-8/h3-6H,2,7H2,1H3,(H,11,12)
InChIKeyZUXZCTFOVXYRTI-UHFFFAOYSA-N
XLogP2.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethoxy-[(4-fluorophenyl)methyl]phosphinic 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 ethoxy-[(4-fluorophenyl)methyl]phosphinic acid?
The IUPAC name of ethoxy-[(4-fluorophenyl)methyl]phosphinic acid (CID 23273930) is ethoxy-[(4-fluorophenyl)methyl]phosphinic acid.
What is the SMILES notation for ethoxy-[(4-fluorophenyl)methyl]phosphinic acid?
The canonical SMILES for ethoxy-[(4-fluorophenyl)methyl]phosphinic acid is CCOP(=O)(O)Cc1ccc(F)cc1.
What is the InChIKey of ethoxy-[(4-fluorophenyl)methyl]phosphinic acid?
The InChIKey is ZUXZCTFOVXYRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FO3P/c1-2-13-14(11,12)7-8-3-5-9(10)6-4-8/h3-6H,2,7H2,1H3,(H,11,12).
What are the key properties of ethoxy-[(4-fluorophenyl)methyl]phosphinic acid?
ethoxy-[(4-fluorophenyl)methyl]phosphinic acid has a molecular weight of 218.16 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[(4-fluorophenyl)methyl]phosphinic acid is sourced from PubChem (CID 23273930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).