3-diethoxyphosphoryl-3-fluoropropanal

C7H14FO4P — CID 46867278

IUPAC3-diethoxyphosphoryl-3-fluoropropanal
SMILESCCOP(=O)(OCC)C(F)CC=O
InChIInChI=1S/C7H14FO4P/c1-3-11-13(10,12-4-2)7(8)5-6-9/h6-7H,3-5H2,1-2H3
InChIKeyIHTLBXOFRZXYHG-UHFFFAOYSA-N
MW212.16 g/mol
LogP2.14
Rot. Bonds7

About 3-diethoxyphosphoryl-3-fluoropropanal

3-diethoxyphosphoryl-3-fluoropropanal (PubChem CID 46867278) has the molecular formula C7H14FO4P and a molecular weight of 212.16 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-3-fluoropropanal.

Molecular Properties

Compound Name3-diethoxyphosphoryl-3-fluoropropanal
PubChem CID46867278
Molecular FormulaC7H14FO4P
Molecular Weight212.16 g/mol
Exact Mass212.06
IUPAC Name3-diethoxyphosphoryl-3-fluoropropanal
SMILESCCOP(=O)(OCC)C(F)CC=O
InChIInChI=1S/C7H14FO4P/c1-3-11-13(10,12-4-2)7(8)5-6-9/h6-7H,3-5H2,1-2H3
InChIKeyIHTLBXOFRZXYHG-UHFFFAOYSA-N
XLogP2.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 52.14
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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Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphoryl-3-fluoropropanal?
The IUPAC name of 3-diethoxyphosphoryl-3-fluoropropanal (CID 46867278) is 3-diethoxyphosphoryl-3-fluoropropanal.
What is the SMILES notation for 3-diethoxyphosphoryl-3-fluoropropanal?
The canonical SMILES for 3-diethoxyphosphoryl-3-fluoropropanal is CCOP(=O)(OCC)C(F)CC=O.
What is the InChIKey of 3-diethoxyphosphoryl-3-fluoropropanal?
The InChIKey is IHTLBXOFRZXYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FO4P/c1-3-11-13(10,12-4-2)7(8)5-6-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-diethoxyphosphoryl-3-fluoropropanal?
3-diethoxyphosphoryl-3-fluoropropanal has a molecular weight of 212.16 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-3-fluoropropanal is sourced from PubChem (CID 46867278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).