phenyl-[2,2,2-trifluoro-1-(4-fluorophenyl)ethoxy]phosphinic acid

C14H11F4O3P — CID 2897837

IUPACphenyl-[2,2,2-trifluoro-1-(4-fluorophenyl)ethoxy]phosphinic acid
SMILESO=P(O)(OC(c1ccc(F)cc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H11F4O3P/c15-11-8-6-10(7-9-11)13(14(16,17)18)21-22(19,20)12-4-2-1-3-5-12/h1-9,13H,(H,19,20)
InChIKeyRZTBXNRUCKJMNZ-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.96
Rot. Bonds4

About phenyl-[2,2,2-trifluoro-1-(4-fluorophenyl)ethoxy]phosphinic acid

phenyl-[2,2,2-trifluoro-1-(4-fluorophenyl)ethoxy]phosphinic acid (PubChem CID 2897837) has the molecular formula C14H11F4O3P and a molecular weight of 334.21 g/mol. Its IUPAC name is phenyl-[2,2,2-trifluoro-1-(4-fluorophenyl)ethoxy]phosphinic acid.

Molecular Properties

Compound Namephenyl-[2,2,2-trifluoro-1-(4-fluorophenyl)ethoxy]phosphinic acid
PubChem CID2897837
Molecular FormulaC14H11F4O3P
Molecular Weight334.21 g/mol
Exact Mass334.04
IUPAC Namephenyl-[2,2,2-trifluoro-1-(4-fluorophenyl)ethoxy]phosphinic acid
SMILESO=P(O)(OC(c1ccc(F)cc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H11F4O3P/c15-11-8-6-10(7-9-11)13(14(16,17)18)21-22(19,20)12-4-2-1-3-5-12/h1-9,13H,(H,19,20)
InChIKeyRZTBXNRUCKJMNZ-UHFFFAOYSA-N
XLogP3.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl-[2,2,2-trifluoro-1-(4-fluorophenyl)ethoxy]phosphinic acid?
The IUPAC name of phenyl-[2,2,2-trifluoro-1-(4-fluorophenyl)ethoxy]phosphinic acid (CID 2897837) is phenyl-[2,2,2-trifluoro-1-(4-fluorophenyl)ethoxy]phosphinic acid.
What is the SMILES notation for phenyl-[2,2,2-trifluoro-1-(4-fluorophenyl)ethoxy]phosphinic acid?
The canonical SMILES for phenyl-[2,2,2-trifluoro-1-(4-fluorophenyl)ethoxy]phosphinic acid is O=P(O)(OC(c1ccc(F)cc1)C(F)(F)F)c1ccccc1.
What is the InChIKey of phenyl-[2,2,2-trifluoro-1-(4-fluorophenyl)ethoxy]phosphinic acid?
The InChIKey is RZTBXNRUCKJMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4O3P/c15-11-8-6-10(7-9-11)13(14(16,17)18)21-22(19,20)12-4-2-1-3-5-12/h1-9,13H,(H,19,20).
What are the key properties of phenyl-[2,2,2-trifluoro-1-(4-fluorophenyl)ethoxy]phosphinic acid?
phenyl-[2,2,2-trifluoro-1-(4-fluorophenyl)ethoxy]phosphinic acid has a molecular weight of 334.21 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2,2,2-trifluoro-1-(4-fluorophenyl)ethoxy]phosphinic acid is sourced from PubChem (CID 2897837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).