1-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-4-fluorobenzene

C17H19F2O3P — CID 10404973

IUPAC1-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-4-fluorobenzene
SMILESCCOP(=O)(OCC)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H19F2O3P/c1-3-21-23(20,22-4-2)17(13-5-9-15(18)10-6-13)14-7-11-16(19)12-8-14/h5-12,17H,3-4H2,1-2H3
InChIKeyFTELLMLZLPZAPV-UHFFFAOYSA-N
MW340.31 g/mol
LogP5.32
Rot. Bonds7

About 1-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-4-fluorobenzene

1-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-4-fluorobenzene (PubChem CID 10404973) has the molecular formula C17H19F2O3P and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-4-fluorobenzene
PubChem CID10404973
Molecular FormulaC17H19F2O3P
Molecular Weight340.31 g/mol
Exact Mass340.10
IUPAC Name1-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-4-fluorobenzene
SMILESCCOP(=O)(OCC)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H19F2O3P/c1-3-21-23(20,22-4-2)17(13-5-9-15(18)10-6-13)14-7-11-16(19)12-8-14/h5-12,17H,3-4H2,1-2H3
InChIKeyFTELLMLZLPZAPV-UHFFFAOYSA-N
XLogP5.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.31
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-4-fluorobenzene?
The IUPAC name of 1-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-4-fluorobenzene (CID 10404973) is 1-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-4-fluorobenzene.
What is the SMILES notation for 1-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-4-fluorobenzene?
The canonical SMILES for 1-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-4-fluorobenzene is CCOP(=O)(OCC)C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-4-fluorobenzene?
The InChIKey is FTELLMLZLPZAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2O3P/c1-3-21-23(20,22-4-2)17(13-5-9-15(18)10-6-13)14-7-11-16(19)12-8-14/h5-12,17H,3-4H2,1-2H3.
What are the key properties of 1-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-4-fluorobenzene?
1-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-4-fluorobenzene has a molecular weight of 340.31 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-4-fluorobenzene is sourced from PubChem (CID 10404973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).