2-diethoxyphosphoryl-5-iodofuran

C8H12IO4P — CID 22280644

IUPAC2-diethoxyphosphoryl-5-iodofuran
SMILESCCOP(=O)(OCC)c1ccc(I)o1
InChIInChI=1S/C8H12IO4P/c1-3-11-14(10,12-4-2)8-6-5-7(9)13-8/h5-6H,3-4H2,1-2H3
InChIKeyJMSKCQVNNXANJB-UHFFFAOYSA-N
MW330.06 g/mol
LogP2.78
Rot. Bonds5

About 2-diethoxyphosphoryl-5-iodofuran

2-diethoxyphosphoryl-5-iodofuran (PubChem CID 22280644) has the molecular formula C8H12IO4P and a molecular weight of 330.06 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-5-iodofuran.

Molecular Properties

Compound Name2-diethoxyphosphoryl-5-iodofuran
PubChem CID22280644
Molecular FormulaC8H12IO4P
Molecular Weight330.06 g/mol
Exact Mass329.95
IUPAC Name2-diethoxyphosphoryl-5-iodofuran
SMILESCCOP(=O)(OCC)c1ccc(I)o1
InChIInChI=1S/C8H12IO4P/c1-3-11-14(10,12-4-2)8-6-5-7(9)13-8/h5-6H,3-4H2,1-2H3
InChIKeyJMSKCQVNNXANJB-UHFFFAOYSA-N
XLogP2.78
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.06
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 2-diethoxyphosphoryl-5-iodofuran?
The IUPAC name of 2-diethoxyphosphoryl-5-iodofuran (CID 22280644) is 2-diethoxyphosphoryl-5-iodofuran.
What is the SMILES notation for 2-diethoxyphosphoryl-5-iodofuran?
The canonical SMILES for 2-diethoxyphosphoryl-5-iodofuran is CCOP(=O)(OCC)c1ccc(I)o1.
What is the InChIKey of 2-diethoxyphosphoryl-5-iodofuran?
The InChIKey is JMSKCQVNNXANJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12IO4P/c1-3-11-14(10,12-4-2)8-6-5-7(9)13-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-diethoxyphosphoryl-5-iodofuran?
2-diethoxyphosphoryl-5-iodofuran has a molecular weight of 330.06 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-5-iodofuran is sourced from PubChem (CID 22280644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).