prop-2-enyl 2-diethoxyphosphoryl-2-fluoroacetate

C9H16FO5P — CID 11032422

IUPACprop-2-enyl 2-diethoxyphosphoryl-2-fluoroacetate
SMILESC=CCOC(=O)C(F)P(=O)(OCC)OCC
InChIInChI=1S/C9H16FO5P/c1-4-7-13-9(11)8(10)16(12,14-5-2)15-6-3/h4,8H,1,5-7H2,2-3H3
InChIKeyABTZLZROXOUONJ-UHFFFAOYSA-N
MW254.19 g/mol
LogP2.28
Rot. Bonds8

About prop-2-enyl 2-diethoxyphosphoryl-2-fluoroacetate

prop-2-enyl 2-diethoxyphosphoryl-2-fluoroacetate (PubChem CID 11032422) has the molecular formula C9H16FO5P and a molecular weight of 254.19 g/mol. Its IUPAC name is prop-2-enyl 2-diethoxyphosphoryl-2-fluoroacetate.

Molecular Properties

Compound Nameprop-2-enyl 2-diethoxyphosphoryl-2-fluoroacetate
PubChem CID11032422
Molecular FormulaC9H16FO5P
Molecular Weight254.19 g/mol
Exact Mass254.07
IUPAC Nameprop-2-enyl 2-diethoxyphosphoryl-2-fluoroacetate
SMILESC=CCOC(=O)C(F)P(=O)(OCC)OCC
InChIInChI=1S/C9H16FO5P/c1-4-7-13-9(11)8(10)16(12,14-5-2)15-6-3/h4,8H,1,5-7H2,2-3H3
InChIKeyABTZLZROXOUONJ-UHFFFAOYSA-N
XLogP2.28
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.19
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-diethoxyphosphoryl-2-fluoroacetate?
The IUPAC name of prop-2-enyl 2-diethoxyphosphoryl-2-fluoroacetate (CID 11032422) is prop-2-enyl 2-diethoxyphosphoryl-2-fluoroacetate.
What is the SMILES notation for prop-2-enyl 2-diethoxyphosphoryl-2-fluoroacetate?
The canonical SMILES for prop-2-enyl 2-diethoxyphosphoryl-2-fluoroacetate is C=CCOC(=O)C(F)P(=O)(OCC)OCC.
What is the InChIKey of prop-2-enyl 2-diethoxyphosphoryl-2-fluoroacetate?
The InChIKey is ABTZLZROXOUONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FO5P/c1-4-7-13-9(11)8(10)16(12,14-5-2)15-6-3/h4,8H,1,5-7H2,2-3H3.
What are the key properties of prop-2-enyl 2-diethoxyphosphoryl-2-fluoroacetate?
prop-2-enyl 2-diethoxyphosphoryl-2-fluoroacetate has a molecular weight of 254.19 g/mol, XLogP of 2.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-diethoxyphosphoryl-2-fluoroacetate is sourced from PubChem (CID 11032422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).