1-diethoxyphosphoryl-1-fluoro-3-iodoheptane

C11H23FIO3P — CID 86198572

IUPAC1-diethoxyphosphoryl-1-fluoro-3-iodoheptane
SMILESCCCCC(I)CC(F)P(=O)(OCC)OCC
InChIInChI=1S/C11H23FIO3P/c1-4-7-8-10(13)9-11(12)17(14,15-5-2)16-6-3/h10-11H,4-9H2,1-3H3
InChIKeyMXQAYZMOQGITLX-UHFFFAOYSA-N
MW380.18 g/mol
LogP4.93
Rot. Bonds10

About 1-diethoxyphosphoryl-1-fluoro-3-iodoheptane

1-diethoxyphosphoryl-1-fluoro-3-iodoheptane (PubChem CID 86198572) has the molecular formula C11H23FIO3P and a molecular weight of 380.18 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-1-fluoro-3-iodoheptane.

Molecular Properties

Compound Name1-diethoxyphosphoryl-1-fluoro-3-iodoheptane
PubChem CID86198572
Molecular FormulaC11H23FIO3P
Molecular Weight380.18 g/mol
Exact Mass380.04
IUPAC Name1-diethoxyphosphoryl-1-fluoro-3-iodoheptane
SMILESCCCCC(I)CC(F)P(=O)(OCC)OCC
InChIInChI=1S/C11H23FIO3P/c1-4-7-8-10(13)9-11(12)17(14,15-5-2)16-6-3/h10-11H,4-9H2,1-3H3
InChIKeyMXQAYZMOQGITLX-UHFFFAOYSA-N
XLogP4.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.18
LogP ≤ 54.93
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-1-fluoro-3-iodoheptane?
The IUPAC name of 1-diethoxyphosphoryl-1-fluoro-3-iodoheptane (CID 86198572) is 1-diethoxyphosphoryl-1-fluoro-3-iodoheptane.
What is the SMILES notation for 1-diethoxyphosphoryl-1-fluoro-3-iodoheptane?
The canonical SMILES for 1-diethoxyphosphoryl-1-fluoro-3-iodoheptane is CCCCC(I)CC(F)P(=O)(OCC)OCC.
What is the InChIKey of 1-diethoxyphosphoryl-1-fluoro-3-iodoheptane?
The InChIKey is MXQAYZMOQGITLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FIO3P/c1-4-7-8-10(13)9-11(12)17(14,15-5-2)16-6-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-diethoxyphosphoryl-1-fluoro-3-iodoheptane?
1-diethoxyphosphoryl-1-fluoro-3-iodoheptane has a molecular weight of 380.18 g/mol, XLogP of 4.93, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-1-fluoro-3-iodoheptane is sourced from PubChem (CID 86198572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).