1-[diethoxyphosphoryl(difluoro)methyl]-4-ethenylbenzene

C13H17F2O3P — CID 23243257

IUPAC1-[diethoxyphosphoryl(difluoro)methyl]-4-ethenylbenzene
SMILESC=Cc1ccc(C(F)(F)P(=O)(OCC)OCC)cc1
InChIInChI=1S/C13H17F2O3P/c1-4-11-7-9-12(10-8-11)13(14,15)19(16,17-5-2)18-6-3/h4,7-10H,1,5-6H2,2-3H3
InChIKeyLGCGPCSVDHIKJE-UHFFFAOYSA-N
MW290.25 g/mol
LogP4.64
Rot. Bonds7

About 1-[diethoxyphosphoryl(difluoro)methyl]-4-ethenylbenzene

1-[diethoxyphosphoryl(difluoro)methyl]-4-ethenylbenzene (PubChem CID 23243257) has the molecular formula C13H17F2O3P and a molecular weight of 290.25 g/mol. Its IUPAC name is 1-[diethoxyphosphoryl(difluoro)methyl]-4-ethenylbenzene.

Molecular Properties

Compound Name1-[diethoxyphosphoryl(difluoro)methyl]-4-ethenylbenzene
PubChem CID23243257
Molecular FormulaC13H17F2O3P
Molecular Weight290.25 g/mol
Exact Mass290.09
IUPAC Name1-[diethoxyphosphoryl(difluoro)methyl]-4-ethenylbenzene
SMILESC=Cc1ccc(C(F)(F)P(=O)(OCC)OCC)cc1
InChIInChI=1S/C13H17F2O3P/c1-4-11-7-9-12(10-8-11)13(14,15)19(16,17-5-2)18-6-3/h4,7-10H,1,5-6H2,2-3H3
InChIKeyLGCGPCSVDHIKJE-UHFFFAOYSA-N
XLogP4.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 54.64
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(difluoro)methyl]-4-ethenylbenzene?
The IUPAC name of 1-[diethoxyphosphoryl(difluoro)methyl]-4-ethenylbenzene (CID 23243257) is 1-[diethoxyphosphoryl(difluoro)methyl]-4-ethenylbenzene.
What is the SMILES notation for 1-[diethoxyphosphoryl(difluoro)methyl]-4-ethenylbenzene?
The canonical SMILES for 1-[diethoxyphosphoryl(difluoro)methyl]-4-ethenylbenzene is C=Cc1ccc(C(F)(F)P(=O)(OCC)OCC)cc1.
What is the InChIKey of 1-[diethoxyphosphoryl(difluoro)methyl]-4-ethenylbenzene?
The InChIKey is LGCGPCSVDHIKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2O3P/c1-4-11-7-9-12(10-8-11)13(14,15)19(16,17-5-2)18-6-3/h4,7-10H,1,5-6H2,2-3H3.
What are the key properties of 1-[diethoxyphosphoryl(difluoro)methyl]-4-ethenylbenzene?
1-[diethoxyphosphoryl(difluoro)methyl]-4-ethenylbenzene has a molecular weight of 290.25 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diethoxyphosphoryl(difluoro)methyl]-4-ethenylbenzene is sourced from PubChem (CID 23243257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).