3-[2-(2-azidoethoxy)ethoxy]-1-diethoxyphosphoryl-1,1-difluoropropane

C11H22F2N3O5P — CID 86678262

IUPAC3-[2-(2-azidoethoxy)ethoxy]-1-diethoxyphosphoryl-1,1-difluoropropane
SMILESCCOP(=O)(OCC)C(F)(F)CCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C11H22F2N3O5P/c1-3-20-22(17,21-4-2)11(12,13)5-7-18-9-10-19-8-6-15-16-14/h3-10H2,1-2H3
InChIKeyCGWRLIHLUMUFHP-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.58
Rot. Bonds14

About 3-[2-(2-azidoethoxy)ethoxy]-1-diethoxyphosphoryl-1,1-difluoropropane

3-[2-(2-azidoethoxy)ethoxy]-1-diethoxyphosphoryl-1,1-difluoropropane (PubChem CID 86678262) has the molecular formula C11H22F2N3O5P and a molecular weight of 345.28 g/mol. Its IUPAC name is 3-[2-(2-azidoethoxy)ethoxy]-1-diethoxyphosphoryl-1,1-difluoropropane.

Molecular Properties

Compound Name3-[2-(2-azidoethoxy)ethoxy]-1-diethoxyphosphoryl-1,1-difluoropropane
PubChem CID86678262
Molecular FormulaC11H22F2N3O5P
Molecular Weight345.28 g/mol
Exact Mass345.13
IUPAC Name3-[2-(2-azidoethoxy)ethoxy]-1-diethoxyphosphoryl-1,1-difluoropropane
SMILESCCOP(=O)(OCC)C(F)(F)CCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C11H22F2N3O5P/c1-3-20-22(17,21-4-2)11(12,13)5-7-18-9-10-19-8-6-15-16-14/h3-10H2,1-2H3
InChIKeyCGWRLIHLUMUFHP-UHFFFAOYSA-N
XLogP3.58
TPSA102.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-azidoethoxy)ethoxy]-1-diethoxyphosphoryl-1,1-difluoropropane?
The IUPAC name of 3-[2-(2-azidoethoxy)ethoxy]-1-diethoxyphosphoryl-1,1-difluoropropane (CID 86678262) is 3-[2-(2-azidoethoxy)ethoxy]-1-diethoxyphosphoryl-1,1-difluoropropane.
What is the SMILES notation for 3-[2-(2-azidoethoxy)ethoxy]-1-diethoxyphosphoryl-1,1-difluoropropane?
The canonical SMILES for 3-[2-(2-azidoethoxy)ethoxy]-1-diethoxyphosphoryl-1,1-difluoropropane is CCOP(=O)(OCC)C(F)(F)CCOCCOCCN=[N+]=[N-].
What is the InChIKey of 3-[2-(2-azidoethoxy)ethoxy]-1-diethoxyphosphoryl-1,1-difluoropropane?
The InChIKey is CGWRLIHLUMUFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N3O5P/c1-3-20-22(17,21-4-2)11(12,13)5-7-18-9-10-19-8-6-15-16-14/h3-10H2,1-2H3.
What are the key properties of 3-[2-(2-azidoethoxy)ethoxy]-1-diethoxyphosphoryl-1,1-difluoropropane?
3-[2-(2-azidoethoxy)ethoxy]-1-diethoxyphosphoryl-1,1-difluoropropane has a molecular weight of 345.28 g/mol, XLogP of 3.58, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-azidoethoxy)ethoxy]-1-diethoxyphosphoryl-1,1-difluoropropane is sourced from PubChem (CID 86678262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).