1-diethoxyphosphoryl-1-fluoro-2-iodocyclopentane

C9H17FIO3P — CID 134867154

IUPAC1-diethoxyphosphoryl-1-fluoro-2-iodocyclopentane
SMILESCCOP(=O)(OCC)C1(F)CCCC1I
InChIInChI=1S/C9H17FIO3P/c1-3-13-15(12,14-4-2)9(10)7-5-6-8(9)11/h8H,3-7H2,1-2H3
InChIKeyCLBPIZOAAQPPOD-UHFFFAOYSA-N
MW350.11 g/mol
LogP3.91
Rot. Bonds5

About 1-diethoxyphosphoryl-1-fluoro-2-iodocyclopentane

1-diethoxyphosphoryl-1-fluoro-2-iodocyclopentane (PubChem CID 134867154) has the molecular formula C9H17FIO3P and a molecular weight of 350.11 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-1-fluoro-2-iodocyclopentane.

Molecular Properties

Compound Name1-diethoxyphosphoryl-1-fluoro-2-iodocyclopentane
PubChem CID134867154
Molecular FormulaC9H17FIO3P
Molecular Weight350.11 g/mol
Exact Mass349.99
IUPAC Name1-diethoxyphosphoryl-1-fluoro-2-iodocyclopentane
SMILESCCOP(=O)(OCC)C1(F)CCCC1I
InChIInChI=1S/C9H17FIO3P/c1-3-13-15(12,14-4-2)9(10)7-5-6-8(9)11/h8H,3-7H2,1-2H3
InChIKeyCLBPIZOAAQPPOD-UHFFFAOYSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.11
LogP ≤ 53.91
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-2-iodocyclopentane?
The IUPAC name of 1-diethoxyphosphoryl-1-fluoro-2-iodocyclopentane (CID 134867154) is 1-diethoxyphosphoryl-1-fluoro-2-iodocyclopentane.
What is the SMILES notation for 1-diethoxyphosphoryl-1-fluoro-2-iodocyclopentane?
The canonical SMILES for 1-diethoxyphosphoryl-1-fluoro-2-iodocyclopentane is CCOP(=O)(OCC)C1(F)CCCC1I.
What is the InChIKey of 1-diethoxyphosphoryl-1-fluoro-2-iodocyclopentane?
The InChIKey is CLBPIZOAAQPPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FIO3P/c1-3-13-15(12,14-4-2)9(10)7-5-6-8(9)11/h8H,3-7H2,1-2H3.
What are the key properties of 1-diethoxyphosphoryl-1-fluoro-2-iodocyclopentane?
1-diethoxyphosphoryl-1-fluoro-2-iodocyclopentane has a molecular weight of 350.11 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-1-fluoro-2-iodocyclopentane is sourced from PubChem (CID 134867154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).