1-diethoxyphosphoryl-2-fluoro-1-iodoethane

C6H13FIO3P — CID 102164435

IUPAC1-diethoxyphosphoryl-2-fluoro-1-iodoethane
SMILESCCOP(=O)(OCC)C(I)CF
InChIInChI=1S/C6H13FIO3P/c1-3-10-12(9,11-4-2)6(8)5-7/h6H,3-5H2,1-2H3
InChIKeyGGGUADFXIRSUQC-UHFFFAOYSA-N
MW310.04 g/mol
LogP2.98
Rot. Bonds6

About 1-diethoxyphosphoryl-2-fluoro-1-iodoethane

1-diethoxyphosphoryl-2-fluoro-1-iodoethane (PubChem CID 102164435) has the molecular formula C6H13FIO3P and a molecular weight of 310.04 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-2-fluoro-1-iodoethane.

Molecular Properties

Compound Name1-diethoxyphosphoryl-2-fluoro-1-iodoethane
PubChem CID102164435
Molecular FormulaC6H13FIO3P
Molecular Weight310.04 g/mol
Exact Mass309.96
IUPAC Name1-diethoxyphosphoryl-2-fluoro-1-iodoethane
SMILESCCOP(=O)(OCC)C(I)CF
InChIInChI=1S/C6H13FIO3P/c1-3-10-12(9,11-4-2)6(8)5-7/h6H,3-5H2,1-2H3
InChIKeyGGGUADFXIRSUQC-UHFFFAOYSA-N
XLogP2.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.04
LogP ≤ 52.98
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': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-2-fluoro-1-iodoethane?
The IUPAC name of 1-diethoxyphosphoryl-2-fluoro-1-iodoethane (CID 102164435) is 1-diethoxyphosphoryl-2-fluoro-1-iodoethane.
What is the SMILES notation for 1-diethoxyphosphoryl-2-fluoro-1-iodoethane?
The canonical SMILES for 1-diethoxyphosphoryl-2-fluoro-1-iodoethane is CCOP(=O)(OCC)C(I)CF.
What is the InChIKey of 1-diethoxyphosphoryl-2-fluoro-1-iodoethane?
The InChIKey is GGGUADFXIRSUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FIO3P/c1-3-10-12(9,11-4-2)6(8)5-7/h6H,3-5H2,1-2H3.
What are the key properties of 1-diethoxyphosphoryl-2-fluoro-1-iodoethane?
1-diethoxyphosphoryl-2-fluoro-1-iodoethane has a molecular weight of 310.04 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-2-fluoro-1-iodoethane is sourced from PubChem (CID 102164435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).