2-diethoxyphosphoryl-2-fluoroacetic acid

C6H12FO5P — CID 11031196

IUPAC2-diethoxyphosphoryl-2-fluoroacetic acid
SMILESCCOP(=O)(OCC)C(F)C(=O)O
InChIInChI=1S/C6H12FO5P/c1-3-11-13(10,12-4-2)5(7)6(8)9/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyXVVDJXADJFNWAZ-UHFFFAOYSA-N
MW214.13 g/mol
LogP1.63
Rot. Bonds6

About 2-diethoxyphosphoryl-2-fluoroacetic acid

2-diethoxyphosphoryl-2-fluoroacetic acid (PubChem CID 11031196) has the molecular formula C6H12FO5P and a molecular weight of 214.13 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-2-fluoroacetic acid.

Molecular Properties

Compound Name2-diethoxyphosphoryl-2-fluoroacetic acid
PubChem CID11031196
Molecular FormulaC6H12FO5P
Molecular Weight214.13 g/mol
Exact Mass214.04
IUPAC Name2-diethoxyphosphoryl-2-fluoroacetic acid
SMILESCCOP(=O)(OCC)C(F)C(=O)O
InChIInChI=1S/C6H12FO5P/c1-3-11-13(10,12-4-2)5(7)6(8)9/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyXVVDJXADJFNWAZ-UHFFFAOYSA-N
XLogP1.63
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.13
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-2-fluoroacetic acid?
The IUPAC name of 2-diethoxyphosphoryl-2-fluoroacetic acid (CID 11031196) is 2-diethoxyphosphoryl-2-fluoroacetic acid.
What is the SMILES notation for 2-diethoxyphosphoryl-2-fluoroacetic acid?
The canonical SMILES for 2-diethoxyphosphoryl-2-fluoroacetic acid is CCOP(=O)(OCC)C(F)C(=O)O.
What is the InChIKey of 2-diethoxyphosphoryl-2-fluoroacetic acid?
The InChIKey is XVVDJXADJFNWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FO5P/c1-3-11-13(10,12-4-2)5(7)6(8)9/h5H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 2-diethoxyphosphoryl-2-fluoroacetic acid?
2-diethoxyphosphoryl-2-fluoroacetic acid has a molecular weight of 214.13 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-2-fluoroacetic acid is sourced from PubChem (CID 11031196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).