2-dibutoxyphosphoryl-2,2-difluoroacetaldehyde

C10H19F2O4P — CID 167149059

IUPAC2-dibutoxyphosphoryl-2,2-difluoroacetaldehyde
SMILESCCCCOP(=O)(OCCCC)C(F)(F)C=O
InChIInChI=1S/C10H19F2O4P/c1-3-5-7-15-17(14,10(11,12)9-13)16-8-6-4-2/h9H,3-8H2,1-2H3
InChIKeyOCLXLIPQWLEOPE-UHFFFAOYSA-N
MW272.23 g/mol
LogP3.60
Rot. Bonds10

About 2-dibutoxyphosphoryl-2,2-difluoroacetaldehyde

2-dibutoxyphosphoryl-2,2-difluoroacetaldehyde (PubChem CID 167149059) has the molecular formula C10H19F2O4P and a molecular weight of 272.23 g/mol. Its IUPAC name is 2-dibutoxyphosphoryl-2,2-difluoroacetaldehyde.

Molecular Properties

Compound Name2-dibutoxyphosphoryl-2,2-difluoroacetaldehyde
PubChem CID167149059
Molecular FormulaC10H19F2O4P
Molecular Weight272.23 g/mol
Exact Mass272.10
IUPAC Name2-dibutoxyphosphoryl-2,2-difluoroacetaldehyde
SMILESCCCCOP(=O)(OCCCC)C(F)(F)C=O
InChIInChI=1S/C10H19F2O4P/c1-3-5-7-15-17(14,10(11,12)9-13)16-8-6-4-2/h9H,3-8H2,1-2H3
InChIKeyOCLXLIPQWLEOPE-UHFFFAOYSA-N
XLogP3.60
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 2-dibutoxyphosphoryl-2,2-difluoroacetaldehyde?
The IUPAC name of 2-dibutoxyphosphoryl-2,2-difluoroacetaldehyde (CID 167149059) is 2-dibutoxyphosphoryl-2,2-difluoroacetaldehyde.
What is the SMILES notation for 2-dibutoxyphosphoryl-2,2-difluoroacetaldehyde?
The canonical SMILES for 2-dibutoxyphosphoryl-2,2-difluoroacetaldehyde is CCCCOP(=O)(OCCCC)C(F)(F)C=O.
What is the InChIKey of 2-dibutoxyphosphoryl-2,2-difluoroacetaldehyde?
The InChIKey is OCLXLIPQWLEOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2O4P/c1-3-5-7-15-17(14,10(11,12)9-13)16-8-6-4-2/h9H,3-8H2,1-2H3.
What are the key properties of 2-dibutoxyphosphoryl-2,2-difluoroacetaldehyde?
2-dibutoxyphosphoryl-2,2-difluoroacetaldehyde has a molecular weight of 272.23 g/mol, XLogP of 3.60, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibutoxyphosphoryl-2,2-difluoroacetaldehyde is sourced from PubChem (CID 167149059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).