(Z)-4-diethoxyphosphoryl-2-fluorobut-2-enoic acid

C8H14FO5P — CID 19865998

IUPAC(Z)-4-diethoxyphosphoryl-2-fluorobut-2-enoic acid
SMILESCCOP(=O)(C/C=C(\F)C(=O)O)OCC
InChIInChI=1S/C8H14FO5P/c1-3-13-15(12,14-4-2)6-5-7(9)8(10)11/h5H,3-4,6H2,1-2H3,(H,10,11)/b7-5-
InChIKeyBIWRGAYGFMZHLB-ALCCZGGFSA-N
MW240.17 g/mol
LogP2.19
Rot. Bonds7

About (Z)-4-diethoxyphosphoryl-2-fluorobut-2-enoic acid

(Z)-4-diethoxyphosphoryl-2-fluorobut-2-enoic acid (PubChem CID 19865998) has the molecular formula C8H14FO5P and a molecular weight of 240.17 g/mol. Its IUPAC name is (Z)-4-diethoxyphosphoryl-2-fluorobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-diethoxyphosphoryl-2-fluorobut-2-enoic acid
PubChem CID19865998
Molecular FormulaC8H14FO5P
Molecular Weight240.17 g/mol
Exact Mass240.06
IUPAC Name(Z)-4-diethoxyphosphoryl-2-fluorobut-2-enoic acid
SMILESCCOP(=O)(C/C=C(\F)C(=O)O)OCC
InChIInChI=1S/C8H14FO5P/c1-3-13-15(12,14-4-2)6-5-7(9)8(10)11/h5H,3-4,6H2,1-2H3,(H,10,11)/b7-5-
InChIKeyBIWRGAYGFMZHLB-ALCCZGGFSA-N
XLogP2.19
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-diethoxyphosphoryl-2-fluorobut-2-enoic acid?
The IUPAC name of (Z)-4-diethoxyphosphoryl-2-fluorobut-2-enoic acid (CID 19865998) is (Z)-4-diethoxyphosphoryl-2-fluorobut-2-enoic acid.
What is the SMILES notation for (Z)-4-diethoxyphosphoryl-2-fluorobut-2-enoic acid?
The canonical SMILES for (Z)-4-diethoxyphosphoryl-2-fluorobut-2-enoic acid is CCOP(=O)(C/C=C(\F)C(=O)O)OCC.
What is the InChIKey of (Z)-4-diethoxyphosphoryl-2-fluorobut-2-enoic acid?
The InChIKey is BIWRGAYGFMZHLB-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H14FO5P/c1-3-13-15(12,14-4-2)6-5-7(9)8(10)11/h5H,3-4,6H2,1-2H3,(H,10,11)/b7-5-.
What are the key properties of (Z)-4-diethoxyphosphoryl-2-fluorobut-2-enoic acid?
(Z)-4-diethoxyphosphoryl-2-fluorobut-2-enoic acid has a molecular weight of 240.17 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-diethoxyphosphoryl-2-fluorobut-2-enoic acid is sourced from PubChem (CID 19865998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).