1-[2-[2-[fluoro(iodo)phosphoryl]oxyethoxy]ethoxy]-2-methoxyethane

C7H15FIO5P — CID 175578954

IUPAC1-[2-[2-[fluoro(iodo)phosphoryl]oxyethoxy]ethoxy]-2-methoxyethane
SMILESCOCCOCCOCCOP(=O)(F)I
InChIInChI=1S/C7H15FIO5P/c1-11-2-3-12-4-5-13-6-7-14-15(8,9)10/h2-7H2,1H3
InChIKeyVZGGTFLOJXKPKE-UHFFFAOYSA-N
MW356.07 g/mol
LogP2.20
Rot. Bonds10

About 1-[2-[2-[fluoro(iodo)phosphoryl]oxyethoxy]ethoxy]-2-methoxyethane

1-[2-[2-[fluoro(iodo)phosphoryl]oxyethoxy]ethoxy]-2-methoxyethane (PubChem CID 175578954) has the molecular formula C7H15FIO5P and a molecular weight of 356.07 g/mol. Its IUPAC name is 1-[2-[2-[fluoro(iodo)phosphoryl]oxyethoxy]ethoxy]-2-methoxyethane.

Molecular Properties

Compound Name1-[2-[2-[fluoro(iodo)phosphoryl]oxyethoxy]ethoxy]-2-methoxyethane
PubChem CID175578954
Molecular FormulaC7H15FIO5P
Molecular Weight356.07 g/mol
Exact Mass355.97
IUPAC Name1-[2-[2-[fluoro(iodo)phosphoryl]oxyethoxy]ethoxy]-2-methoxyethane
SMILESCOCCOCCOCCOP(=O)(F)I
InChIInChI=1S/C7H15FIO5P/c1-11-2-3-12-4-5-13-6-7-14-15(8,9)10/h2-7H2,1H3
InChIKeyVZGGTFLOJXKPKE-UHFFFAOYSA-N
XLogP2.20
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.07
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[2-[2-[fluoro(iodo)phosphoryl]oxyethoxy]ethoxy]-2-methoxyethane?
The IUPAC name of 1-[2-[2-[fluoro(iodo)phosphoryl]oxyethoxy]ethoxy]-2-methoxyethane (CID 175578954) is 1-[2-[2-[fluoro(iodo)phosphoryl]oxyethoxy]ethoxy]-2-methoxyethane.
What is the SMILES notation for 1-[2-[2-[fluoro(iodo)phosphoryl]oxyethoxy]ethoxy]-2-methoxyethane?
The canonical SMILES for 1-[2-[2-[fluoro(iodo)phosphoryl]oxyethoxy]ethoxy]-2-methoxyethane is COCCOCCOCCOP(=O)(F)I.
What is the InChIKey of 1-[2-[2-[fluoro(iodo)phosphoryl]oxyethoxy]ethoxy]-2-methoxyethane?
The InChIKey is VZGGTFLOJXKPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FIO5P/c1-11-2-3-12-4-5-13-6-7-14-15(8,9)10/h2-7H2,1H3.
What are the key properties of 1-[2-[2-[fluoro(iodo)phosphoryl]oxyethoxy]ethoxy]-2-methoxyethane?
1-[2-[2-[fluoro(iodo)phosphoryl]oxyethoxy]ethoxy]-2-methoxyethane has a molecular weight of 356.07 g/mol, XLogP of 2.20, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[fluoro(iodo)phosphoryl]oxyethoxy]ethoxy]-2-methoxyethane is sourced from PubChem (CID 175578954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).