(E)-2-diethoxyphosphoryl-1-ethoxy-2-fluoroethenolate

C8H15FO5P- — CID 134863006

IUPAC(E)-2-diethoxyphosphoryl-1-ethoxy-2-fluoroethenolate
SMILESCCO/C([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/h10H,4-6H2,1-3H3/p-1/b8-7+
InChIKeyYSYDTVAKWANVOU-BQYQJAHWSA-M
MW241.17 g/mol
LogP1.75
Rot. Bonds7

About (E)-2-diethoxyphosphoryl-1-ethoxy-2-fluoroethenolate

(E)-2-diethoxyphosphoryl-1-ethoxy-2-fluoroethenolate (PubChem CID 134863006) has the molecular formula C8H15FO5P- and a molecular weight of 241.17 g/mol. Its IUPAC name is (E)-2-diethoxyphosphoryl-1-ethoxy-2-fluoroethenolate.

Molecular Properties

Compound Name(E)-2-diethoxyphosphoryl-1-ethoxy-2-fluoroethenolate
PubChem CID134863006
Molecular FormulaC8H15FO5P-
Molecular Weight241.17 g/mol
Exact Mass241.06
IUPAC Name(E)-2-diethoxyphosphoryl-1-ethoxy-2-fluoroethenolate
SMILESCCO/C([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/h10H,4-6H2,1-3H3/p-1/b8-7+
InChIKeyYSYDTVAKWANVOU-BQYQJAHWSA-M
XLogP1.75
TPSA67.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene
CID 14115301
(E)-1-diethoxyphosphoryl-1-fluoro-2,3-diiodoprop-1-ene
CID 10789609
lithium (E)-2-diethoxyphosphoryl-2-fluoro-1-methylsulfanylethenethiolate
CID 11817964
bis(diethoxyphosphoryl)methanimine
CID 87803281
1-[ethoxy(fluoro)phosphoryl]oxyethane;fluorophosphonic acid
CID 87482421
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
(Z)-1-chloro-2-diethoxyphosphoryl-1-ethoxyprop-1-ene
CID 23272868
ethyl N-[bis(diethoxyphosphoryl)methylidene]carbamate
CID 134917403
[(Z)-1-diethoxyphosphoryl-1-fluorobut-1-en-2-yl]sulfanylbenzene
CID 101038517
1-diethoxyphosphoryl-3-fluoropropan-1-one
CID 71349176
1-chloro-1-diethoxyphosphorylethene
CID 11481045
cyclohexylidene(diethoxyphosphoryl)methanamine
CID 21082823

Frequently Asked Questions

What is the IUPAC name of (E)-2-diethoxyphosphoryl-1-ethoxy-2-fluoroethenolate?
The IUPAC name of (E)-2-diethoxyphosphoryl-1-ethoxy-2-fluoroethenolate (CID 134863006) is (E)-2-diethoxyphosphoryl-1-ethoxy-2-fluoroethenolate.
What is the SMILES notation for (E)-2-diethoxyphosphoryl-1-ethoxy-2-fluoroethenolate?
The canonical SMILES for (E)-2-diethoxyphosphoryl-1-ethoxy-2-fluoroethenolate is CCO/C([O-])=C(\F)P(=O)(OCC)OCC.
What is the InChIKey of (E)-2-diethoxyphosphoryl-1-ethoxy-2-fluoroethenolate?
The InChIKey is YSYDTVAKWANVOU-BQYQJAHWSA-M. The full InChI is InChI=1S/C8H16FO5P/c1-4-12-8(10)7(9)15(11,13-5-2)14-6-3/h10H,4-6H2,1-3H3/p-1/b8-7+.
What are the key properties of (E)-2-diethoxyphosphoryl-1-ethoxy-2-fluoroethenolate?
(E)-2-diethoxyphosphoryl-1-ethoxy-2-fluoroethenolate has a molecular weight of 241.17 g/mol, XLogP of 1.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-diethoxyphosphoryl-1-ethoxy-2-fluoroethenolate is sourced from PubChem (CID 134863006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).