1-dimethoxyphosphorylethenyl 2-(4-fluorophenoxy)acetate

C12H14FO6P — CID 71428714

IUPAC1-dimethoxyphosphorylethenyl 2-(4-fluorophenoxy)acetate
SMILESC=C(OC(=O)COc1ccc(F)cc1)P(=O)(OC)OC
InChIInChI=1S/C12H14FO6P/c1-9(20(15,16-2)17-3)19-12(14)8-18-11-6-4-10(13)5-7-11/h4-7H,1,8H2,2-3H3
InChIKeyWPEMDZBXXJBIEI-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.70
Rot. Bonds7

About 1-dimethoxyphosphorylethenyl 2-(4-fluorophenoxy)acetate

1-dimethoxyphosphorylethenyl 2-(4-fluorophenoxy)acetate (PubChem CID 71428714) has the molecular formula C12H14FO6P and a molecular weight of 304.21 g/mol. Its IUPAC name is 1-dimethoxyphosphorylethenyl 2-(4-fluorophenoxy)acetate.

Molecular Properties

Compound Name1-dimethoxyphosphorylethenyl 2-(4-fluorophenoxy)acetate
PubChem CID71428714
Molecular FormulaC12H14FO6P
Molecular Weight304.21 g/mol
Exact Mass304.05
IUPAC Name1-dimethoxyphosphorylethenyl 2-(4-fluorophenoxy)acetate
SMILESC=C(OC(=O)COc1ccc(F)cc1)P(=O)(OC)OC
InChIInChI=1S/C12H14FO6P/c1-9(20(15,16-2)17-3)19-12(14)8-18-11-6-4-10(13)5-7-11/h4-7H,1,8H2,2-3H3
InChIKeyWPEMDZBXXJBIEI-UHFFFAOYSA-N
XLogP2.70
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

methyl 2-(4-fluorophenoxy)acetate
CID 580550
2-(4-fluorophenoxy)-N-(2-methoxyethoxy)acetamide
CID 79676788
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791412
tert-butyl 2-[4-(4-fluorophenoxy)phenoxy]acetate
CID 163740142
methyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenoxy]acetate
CID 17341883
N-(2-bromoprop-2-enyl)-2-(4-fluorophenoxy)acetamide
CID 115594704
(4-fluorophenyl) methyl hydrogen phosphate
CID 57282245
4-fluoro-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
CID 7946133
methyl 2-[[2-(4-fluorophenoxy)acetyl]-methylamino]acetate
CID 43406909
(1-methylpiperidin-1-ium-3-yl) 2-(4-fluorophenoxy)acetate chloride
CID 44656295
methyl 2-[4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 94833156
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791448

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphorylethenyl 2-(4-fluorophenoxy)acetate?
The IUPAC name of 1-dimethoxyphosphorylethenyl 2-(4-fluorophenoxy)acetate (CID 71428714) is 1-dimethoxyphosphorylethenyl 2-(4-fluorophenoxy)acetate.
What is the SMILES notation for 1-dimethoxyphosphorylethenyl 2-(4-fluorophenoxy)acetate?
The canonical SMILES for 1-dimethoxyphosphorylethenyl 2-(4-fluorophenoxy)acetate is C=C(OC(=O)COc1ccc(F)cc1)P(=O)(OC)OC.
What is the InChIKey of 1-dimethoxyphosphorylethenyl 2-(4-fluorophenoxy)acetate?
The InChIKey is WPEMDZBXXJBIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FO6P/c1-9(20(15,16-2)17-3)19-12(14)8-18-11-6-4-10(13)5-7-11/h4-7H,1,8H2,2-3H3.
What are the key properties of 1-dimethoxyphosphorylethenyl 2-(4-fluorophenoxy)acetate?
1-dimethoxyphosphorylethenyl 2-(4-fluorophenoxy)acetate has a molecular weight of 304.21 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphorylethenyl 2-(4-fluorophenoxy)acetate is sourced from PubChem (CID 71428714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).