ethyl 2-diethoxyphosphoryl-2-fluoroacetate

C8H16FO5P — CID 2734865

IUPACethyl 2-diethoxyphosphoryl-2-fluoroacetate
SMILESCCOC(=O)C(F)P(=O)(OCC)OCC
InChIInChI=1S/C8H16FO5P/c1-4-12-8(10)7(9)15(11,13-5-2)14-6-3/h7H,4-6H2,1-3H3
InChIKeyFVPISMANESAJQZ-UHFFFAOYSA-N
MW242.18 g/mol
LogP2.11
Rot. Bonds7

About ethyl 2-diethoxyphosphoryl-2-fluoroacetate

ethyl 2-diethoxyphosphoryl-2-fluoroacetate (PubChem CID 2734865) has the molecular formula C8H16FO5P and a molecular weight of 242.18 g/mol. Its IUPAC name is ethyl 2-diethoxyphosphoryl-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-diethoxyphosphoryl-2-fluoroacetate
PubChem CID2734865
Molecular FormulaC8H16FO5P
Molecular Weight242.18 g/mol
Exact Mass242.07
IUPAC Nameethyl 2-diethoxyphosphoryl-2-fluoroacetate
SMILESCCOC(=O)C(F)P(=O)(OCC)OCC
InChIInChI=1S/C8H16FO5P/c1-4-12-8(10)7(9)15(11,13-5-2)14-6-3/h7H,4-6H2,1-3H3
InChIKeyFVPISMANESAJQZ-UHFFFAOYSA-N
XLogP2.11
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.18
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-diethoxyphosphoryl-2-fluoroacetate?
The IUPAC name of ethyl 2-diethoxyphosphoryl-2-fluoroacetate (CID 2734865) is ethyl 2-diethoxyphosphoryl-2-fluoroacetate.
What is the SMILES notation for ethyl 2-diethoxyphosphoryl-2-fluoroacetate?
The canonical SMILES for ethyl 2-diethoxyphosphoryl-2-fluoroacetate is CCOC(=O)C(F)P(=O)(OCC)OCC.
What is the InChIKey of ethyl 2-diethoxyphosphoryl-2-fluoroacetate?
The InChIKey is FVPISMANESAJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FO5P/c1-4-12-8(10)7(9)15(11,13-5-2)14-6-3/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 2-diethoxyphosphoryl-2-fluoroacetate?
ethyl 2-diethoxyphosphoryl-2-fluoroacetate has a molecular weight of 242.18 g/mol, XLogP of 2.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-diethoxyphosphoryl-2-fluoroacetate is sourced from PubChem (CID 2734865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).