1-diethoxyphosphoryl-1,1,2,2-tetrafluoro-2-iodoethane

C6H10F4IO3P — CID 10428824

IUPAC1-diethoxyphosphoryl-1,1,2,2-tetrafluoro-2-iodoethane
SMILESCCOP(=O)(OCC)C(F)(F)C(F)(F)I
InChIInChI=1S/C6H10F4IO3P/c1-3-13-15(12,14-4-2)6(9,10)5(7,8)11/h3-4H2,1-2H3
InChIKeySSVVESAZHKDNQY-UHFFFAOYSA-N
MW364.01 g/mol
LogP3.87
Rot. Bonds6

About 1-diethoxyphosphoryl-1,1,2,2-tetrafluoro-2-iodoethane

1-diethoxyphosphoryl-1,1,2,2-tetrafluoro-2-iodoethane (PubChem CID 10428824) has the molecular formula C6H10F4IO3P and a molecular weight of 364.01 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-1,1,2,2-tetrafluoro-2-iodoethane.

Molecular Properties

Compound Name1-diethoxyphosphoryl-1,1,2,2-tetrafluoro-2-iodoethane
PubChem CID10428824
Molecular FormulaC6H10F4IO3P
Molecular Weight364.01 g/mol
Exact Mass363.93
IUPAC Name1-diethoxyphosphoryl-1,1,2,2-tetrafluoro-2-iodoethane
SMILESCCOP(=O)(OCC)C(F)(F)C(F)(F)I
InChIInChI=1S/C6H10F4IO3P/c1-3-13-15(12,14-4-2)6(9,10)5(7,8)11/h3-4H2,1-2H3
InChIKeySSVVESAZHKDNQY-UHFFFAOYSA-N
XLogP3.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.01
LogP ≤ 53.87
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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Related Compounds

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CID 10993690
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CID 13736768
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CID 102164435
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CID 139264099
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CID 154714646
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CID 10341696
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CID 10444192
CID 10444192

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-1,1,2,2-tetrafluoro-2-iodoethane?
The IUPAC name of 1-diethoxyphosphoryl-1,1,2,2-tetrafluoro-2-iodoethane (CID 10428824) is 1-diethoxyphosphoryl-1,1,2,2-tetrafluoro-2-iodoethane.
What is the SMILES notation for 1-diethoxyphosphoryl-1,1,2,2-tetrafluoro-2-iodoethane?
The canonical SMILES for 1-diethoxyphosphoryl-1,1,2,2-tetrafluoro-2-iodoethane is CCOP(=O)(OCC)C(F)(F)C(F)(F)I.
What is the InChIKey of 1-diethoxyphosphoryl-1,1,2,2-tetrafluoro-2-iodoethane?
The InChIKey is SSVVESAZHKDNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F4IO3P/c1-3-13-15(12,14-4-2)6(9,10)5(7,8)11/h3-4H2,1-2H3.
What are the key properties of 1-diethoxyphosphoryl-1,1,2,2-tetrafluoro-2-iodoethane?
1-diethoxyphosphoryl-1,1,2,2-tetrafluoro-2-iodoethane has a molecular weight of 364.01 g/mol, XLogP of 3.87, 6 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-tetrafluoro-2-iodoethane is sourced from PubChem (CID 10428824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).