1,1-bis(4-fluorophenyl)ethylphosphonic acid

C14H13F2O3P — CID 66796812

IUPAC1,1-bis(4-fluorophenyl)ethylphosphonic acid
SMILESCC(c1ccc(F)cc1)(c1ccc(F)cc1)P(=O)(O)O
InChIInChI=1S/C14H13F2O3P/c1-14(20(17,18)19,10-2-6-12(15)7-3-10)11-4-8-13(16)9-5-11/h2-9H,1H3,(H2,17,18,19)
InChIKeyZTPQDQSNMBNSLI-UHFFFAOYSA-N
MW298.23 g/mol
LogP3.41
Rot. Bonds3

About 1,1-bis(4-fluorophenyl)ethylphosphonic acid

1,1-bis(4-fluorophenyl)ethylphosphonic acid (PubChem CID 66796812) has the molecular formula C14H13F2O3P and a molecular weight of 298.23 g/mol. Its IUPAC name is 1,1-bis(4-fluorophenyl)ethylphosphonic acid.

Molecular Properties

Compound Name1,1-bis(4-fluorophenyl)ethylphosphonic acid
PubChem CID66796812
Molecular FormulaC14H13F2O3P
Molecular Weight298.23 g/mol
Exact Mass298.06
IUPAC Name1,1-bis(4-fluorophenyl)ethylphosphonic acid
SMILESCC(c1ccc(F)cc1)(c1ccc(F)cc1)P(=O)(O)O
InChIInChI=1S/C14H13F2O3P/c1-14(20(17,18)19,10-2-6-12(15)7-3-10)11-4-8-13(16)9-5-11/h2-9H,1H3,(H2,17,18,19)
InChIKeyZTPQDQSNMBNSLI-UHFFFAOYSA-N
XLogP3.41
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1-bis(4-fluorophenyl)ethylphosphonic 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 1,1-bis(4-fluorophenyl)ethylphosphonic acid?
The IUPAC name of 1,1-bis(4-fluorophenyl)ethylphosphonic acid (CID 66796812) is 1,1-bis(4-fluorophenyl)ethylphosphonic acid.
What is the SMILES notation for 1,1-bis(4-fluorophenyl)ethylphosphonic acid?
The canonical SMILES for 1,1-bis(4-fluorophenyl)ethylphosphonic acid is CC(c1ccc(F)cc1)(c1ccc(F)cc1)P(=O)(O)O.
What is the InChIKey of 1,1-bis(4-fluorophenyl)ethylphosphonic acid?
The InChIKey is ZTPQDQSNMBNSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2O3P/c1-14(20(17,18)19,10-2-6-12(15)7-3-10)11-4-8-13(16)9-5-11/h2-9H,1H3,(H2,17,18,19).
What are the key properties of 1,1-bis(4-fluorophenyl)ethylphosphonic acid?
1,1-bis(4-fluorophenyl)ethylphosphonic acid has a molecular weight of 298.23 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-fluorophenyl)ethylphosphonic acid is sourced from PubChem (CID 66796812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).