2-diethoxyphosphoryl-2,2-difluoroacetaldehyde

C6H11F2O4P — CID 71662165

IUPAC2-diethoxyphosphoryl-2,2-difluoroacetaldehyde
SMILESCCOP(=O)(OCC)C(F)(F)C=O
InChIInChI=1S/C6H11F2O4P/c1-3-11-13(10,12-4-2)6(7,8)5-9/h5H,3-4H2,1-2H3
InChIKeyHOHRKMFYUYQIHL-UHFFFAOYSA-N
MW216.12 g/mol
LogP2.04
Rot. Bonds6

About 2-diethoxyphosphoryl-2,2-difluoroacetaldehyde

2-diethoxyphosphoryl-2,2-difluoroacetaldehyde (PubChem CID 71662165) has the molecular formula C6H11F2O4P and a molecular weight of 216.12 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-2,2-difluoroacetaldehyde.

Molecular Properties

Compound Name2-diethoxyphosphoryl-2,2-difluoroacetaldehyde
PubChem CID71662165
Molecular FormulaC6H11F2O4P
Molecular Weight216.12 g/mol
Exact Mass216.04
IUPAC Name2-diethoxyphosphoryl-2,2-difluoroacetaldehyde
SMILESCCOP(=O)(OCC)C(F)(F)C=O
InChIInChI=1S/C6H11F2O4P/c1-3-11-13(10,12-4-2)6(7,8)5-9/h5H,3-4H2,1-2H3
InChIKeyHOHRKMFYUYQIHL-UHFFFAOYSA-N
XLogP2.04
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.12
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Diethoxyphosphoryl-2-fluoroacetaldehyde
CID 89169594
1-Diethoxyphosphoryl-2,2,2-trifluoroethanone
CID 13179229
1-Dipropoxyphosphoryl-2,2,2-trifluoroethanone
CID 13179230
1-[Bis(2,2,2-trifluoroethoxy)phosphoryl]ethanone
CID 87531863
1-Diethoxyphosphoryl-2-fluoroethanone
CID 88427854
2-[Bis(2,2,2-trifluoroethoxy)phosphoryl]acetaldehyde
CID 130422024
2-Dibutoxyphosphoryl-2,2-difluoroacetaldehyde
CID 167149059
Diethyl (1,1,2-trifluoro-2-oxoethyl)phosphonate
CID 14111268
Diethyl 1,1-difluoro-3-oxopropylphosphonate
CID 15279260
2-Diethoxyphosphoryl-2-oxoacetaldehyde
CID 88955031

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-2,2-difluoroacetaldehyde?
The IUPAC name of 2-diethoxyphosphoryl-2,2-difluoroacetaldehyde (CID 71662165) is 2-diethoxyphosphoryl-2,2-difluoroacetaldehyde.
What is the SMILES notation for 2-diethoxyphosphoryl-2,2-difluoroacetaldehyde?
The canonical SMILES for 2-diethoxyphosphoryl-2,2-difluoroacetaldehyde is CCOP(=O)(OCC)C(F)(F)C=O.
What is the InChIKey of 2-diethoxyphosphoryl-2,2-difluoroacetaldehyde?
The InChIKey is HOHRKMFYUYQIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2O4P/c1-3-11-13(10,12-4-2)6(7,8)5-9/h5H,3-4H2,1-2H3.
What are the key properties of 2-diethoxyphosphoryl-2,2-difluoroacetaldehyde?
2-diethoxyphosphoryl-2,2-difluoroacetaldehyde has a molecular weight of 216.12 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-2,2-difluoroacetaldehyde is sourced from PubChem (CID 71662165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).