3-diethoxyphosphoryl-3,3-difluoropropanal

C7H13F2O4P — CID 15279260

IUPAC3-diethoxyphosphoryl-3,3-difluoropropanal
SMILESCCOP(=O)(OCC)C(F)(F)CC=O
InChIInChI=1S/C7H13F2O4P/c1-3-12-14(11,13-4-2)7(8,9)5-6-10/h6H,3-5H2,1-2H3
InChIKeyMTMAEKQJENCPGN-UHFFFAOYSA-N
MW230.15 g/mol
LogP2.43
Rot. Bonds7

About 3-diethoxyphosphoryl-3,3-difluoropropanal

3-diethoxyphosphoryl-3,3-difluoropropanal (PubChem CID 15279260) has the molecular formula C7H13F2O4P and a molecular weight of 230.15 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-3,3-difluoropropanal.

Molecular Properties

Compound Name3-diethoxyphosphoryl-3,3-difluoropropanal
PubChem CID15279260
Molecular FormulaC7H13F2O4P
Molecular Weight230.15 g/mol
Exact Mass230.05
IUPAC Name3-diethoxyphosphoryl-3,3-difluoropropanal
SMILESCCOP(=O)(OCC)C(F)(F)CC=O
InChIInChI=1S/C7H13F2O4P/c1-3-12-14(11,13-4-2)7(8,9)5-6-10/h6H,3-5H2,1-2H3
InChIKeyMTMAEKQJENCPGN-UHFFFAOYSA-N
XLogP2.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 52.43
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-3,3-difluoropropanal?
The IUPAC name of 3-diethoxyphosphoryl-3,3-difluoropropanal (CID 15279260) is 3-diethoxyphosphoryl-3,3-difluoropropanal.
What is the SMILES notation for 3-diethoxyphosphoryl-3,3-difluoropropanal?
The canonical SMILES for 3-diethoxyphosphoryl-3,3-difluoropropanal is CCOP(=O)(OCC)C(F)(F)CC=O.
What is the InChIKey of 3-diethoxyphosphoryl-3,3-difluoropropanal?
The InChIKey is MTMAEKQJENCPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2O4P/c1-3-12-14(11,13-4-2)7(8,9)5-6-10/h6H,3-5H2,1-2H3.
What are the key properties of 3-diethoxyphosphoryl-3,3-difluoropropanal?
3-diethoxyphosphoryl-3,3-difluoropropanal has a molecular weight of 230.15 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-3,3-difluoropropanal is sourced from PubChem (CID 15279260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).