1-diethoxyphosphoryl-1,1-difluorononane

C13H27F2O3P — CID 10447514

IUPAC1-diethoxyphosphoryl-1,1-difluorononane
SMILESCCCCCCCCC(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C13H27F2O3P/c1-4-7-8-9-10-11-12-13(14,15)19(16,17-5-2)18-6-3/h4-12H2,1-3H3
InChIKeyCECJSVFTYQPXKV-UHFFFAOYSA-N
MW300.33 g/mol
LogP5.60
Rot. Bonds12

About 1-diethoxyphosphoryl-1,1-difluorononane

1-diethoxyphosphoryl-1,1-difluorononane (PubChem CID 10447514) has the molecular formula C13H27F2O3P and a molecular weight of 300.33 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-1,1-difluorononane.

Molecular Properties

Compound Name1-diethoxyphosphoryl-1,1-difluorononane
PubChem CID10447514
Molecular FormulaC13H27F2O3P
Molecular Weight300.33 g/mol
Exact Mass300.17
IUPAC Name1-diethoxyphosphoryl-1,1-difluorononane
SMILESCCCCCCCCC(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C13H27F2O3P/c1-4-7-8-9-10-11-12-13(14,15)19(16,17-5-2)18-6-3/h4-12H2,1-3H3
InChIKeyCECJSVFTYQPXKV-UHFFFAOYSA-N
XLogP5.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.33
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-1,1-difluorononane?
The IUPAC name of 1-diethoxyphosphoryl-1,1-difluorononane (CID 10447514) is 1-diethoxyphosphoryl-1,1-difluorononane.
What is the SMILES notation for 1-diethoxyphosphoryl-1,1-difluorononane?
The canonical SMILES for 1-diethoxyphosphoryl-1,1-difluorononane is CCCCCCCCC(F)(F)P(=O)(OCC)OCC.
What is the InChIKey of 1-diethoxyphosphoryl-1,1-difluorononane?
The InChIKey is CECJSVFTYQPXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F2O3P/c1-4-7-8-9-10-11-12-13(14,15)19(16,17-5-2)18-6-3/h4-12H2,1-3H3.
What are the key properties of 1-diethoxyphosphoryl-1,1-difluorononane?
1-diethoxyphosphoryl-1,1-difluorononane has a molecular weight of 300.33 g/mol, XLogP of 5.60, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-1,1-difluorononane is sourced from PubChem (CID 10447514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).