1-diethoxyphosphoryl-1,1,2,2,3,3-hexafluoro-3-iodopropane

C7H10F6IO3P — CID 10341696

IUPAC1-diethoxyphosphoryl-1,1,2,2,3,3-hexafluoro-3-iodopropane
SMILESCCOP(=O)(OCC)C(F)(F)C(F)(F)C(F)(F)I
InChIInChI=1S/C7H10F6IO3P/c1-3-16-18(15,17-4-2)7(12,13)5(8,9)6(10,11)14/h3-4H2,1-2H3
InChIKeyOGJUPJLTSUQDMW-UHFFFAOYSA-N
MW414.02 g/mol
LogP4.51
Rot. Bonds7

About 1-diethoxyphosphoryl-1,1,2,2,3,3-hexafluoro-3-iodopropane

1-diethoxyphosphoryl-1,1,2,2,3,3-hexafluoro-3-iodopropane (PubChem CID 10341696) has the molecular formula C7H10F6IO3P and a molecular weight of 414.02 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-1,1,2,2,3,3-hexafluoro-3-iodopropane.

Molecular Properties

Compound Name1-diethoxyphosphoryl-1,1,2,2,3,3-hexafluoro-3-iodopropane
PubChem CID10341696
Molecular FormulaC7H10F6IO3P
Molecular Weight414.02 g/mol
Exact Mass413.93
IUPAC Name1-diethoxyphosphoryl-1,1,2,2,3,3-hexafluoro-3-iodopropane
SMILESCCOP(=O)(OCC)C(F)(F)C(F)(F)C(F)(F)I
InChIInChI=1S/C7H10F6IO3P/c1-3-16-18(15,17-4-2)7(12,13)5(8,9)6(10,11)14/h3-4H2,1-2H3
InChIKeyOGJUPJLTSUQDMW-UHFFFAOYSA-N
XLogP4.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.02
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-1,1,2,2,3,3-hexafluoro-3-iodopropane?
The IUPAC name of 1-diethoxyphosphoryl-1,1,2,2,3,3-hexafluoro-3-iodopropane (CID 10341696) is 1-diethoxyphosphoryl-1,1,2,2,3,3-hexafluoro-3-iodopropane.
What is the SMILES notation for 1-diethoxyphosphoryl-1,1,2,2,3,3-hexafluoro-3-iodopropane?
The canonical SMILES for 1-diethoxyphosphoryl-1,1,2,2,3,3-hexafluoro-3-iodopropane is CCOP(=O)(OCC)C(F)(F)C(F)(F)C(F)(F)I.
What is the InChIKey of 1-diethoxyphosphoryl-1,1,2,2,3,3-hexafluoro-3-iodopropane?
The InChIKey is OGJUPJLTSUQDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6IO3P/c1-3-16-18(15,17-4-2)7(12,13)5(8,9)6(10,11)14/h3-4H2,1-2H3.
What are the key properties of 1-diethoxyphosphoryl-1,1,2,2,3,3-hexafluoro-3-iodopropane?
1-diethoxyphosphoryl-1,1,2,2,3,3-hexafluoro-3-iodopropane has a molecular weight of 414.02 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-1,1,2,2,3,3-hexafluoro-3-iodopropane is sourced from PubChem (CID 10341696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).