diethyl (4-fluorophenyl) phosphate

C10H14FO4P — CID 23234443

IUPACdiethyl (4-fluorophenyl) phosphate
SMILESCCOP(=O)(OCC)Oc1ccc(F)cc1
InChIInChI=1S/C10H14FO4P/c1-3-13-16(12,14-4-2)15-10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3
InChIKeyXUNBIWXEKXKULH-UHFFFAOYSA-N
MW248.19 g/mol
LogP3.39
Rot. Bonds6

About diethyl (4-fluorophenyl) phosphate

diethyl (4-fluorophenyl) phosphate (PubChem CID 23234443) has the molecular formula C10H14FO4P and a molecular weight of 248.19 g/mol. Its IUPAC name is diethyl (4-fluorophenyl) phosphate.

Molecular Properties

Compound Namediethyl (4-fluorophenyl) phosphate
PubChem CID23234443
Molecular FormulaC10H14FO4P
Molecular Weight248.19 g/mol
Exact Mass248.06
IUPAC Namediethyl (4-fluorophenyl) phosphate
SMILESCCOP(=O)(OCC)Oc1ccc(F)cc1
InChIInChI=1S/C10H14FO4P/c1-3-13-16(12,14-4-2)15-10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3
InChIKeyXUNBIWXEKXKULH-UHFFFAOYSA-N
XLogP3.39
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl (4-fluorophenyl) phosphate?
The IUPAC name of diethyl (4-fluorophenyl) phosphate (CID 23234443) is diethyl (4-fluorophenyl) phosphate.
What is the SMILES notation for diethyl (4-fluorophenyl) phosphate?
The canonical SMILES for diethyl (4-fluorophenyl) phosphate is CCOP(=O)(OCC)Oc1ccc(F)cc1.
What is the InChIKey of diethyl (4-fluorophenyl) phosphate?
The InChIKey is XUNBIWXEKXKULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FO4P/c1-3-13-16(12,14-4-2)15-10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3.
What are the key properties of diethyl (4-fluorophenyl) phosphate?
diethyl (4-fluorophenyl) phosphate has a molecular weight of 248.19 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (4-fluorophenyl) phosphate is sourced from PubChem (CID 23234443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).