diethyl (3-fluorophenyl)methyl phosphate

C11H16FO4P — CID 68974246

IUPACdiethyl (3-fluorophenyl)methyl phosphate
SMILESCCOP(=O)(OCC)OCc1cccc(F)c1
InChIInChI=1S/C11H16FO4P/c1-3-14-17(13,15-4-2)16-9-10-6-5-7-11(12)8-10/h5-8H,3-4,9H2,1-2H3
InChIKeyZWVDNIIXSCFLJX-UHFFFAOYSA-N
MW262.22 g/mol
LogP3.52
Rot. Bonds7

About diethyl (3-fluorophenyl)methyl phosphate

diethyl (3-fluorophenyl)methyl phosphate (PubChem CID 68974246) has the molecular formula C11H16FO4P and a molecular weight of 262.22 g/mol. Its IUPAC name is diethyl (3-fluorophenyl)methyl phosphate.

Molecular Properties

Compound Namediethyl (3-fluorophenyl)methyl phosphate
PubChem CID68974246
Molecular FormulaC11H16FO4P
Molecular Weight262.22 g/mol
Exact Mass262.08
IUPAC Namediethyl (3-fluorophenyl)methyl phosphate
SMILESCCOP(=O)(OCC)OCc1cccc(F)c1
InChIInChI=1S/C11H16FO4P/c1-3-14-17(13,15-4-2)16-9-10-6-5-7-11(12)8-10/h5-8H,3-4,9H2,1-2H3
InChIKeyZWVDNIIXSCFLJX-UHFFFAOYSA-N
XLogP3.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(diethoxyphosphoryloxymethyl)phenyl] acetate
CID 57391514
(3,4-dichlorophenyl)methyl diethyl phosphate
CID 91622424
1-(2-ethoxyethoxymethyl)-3-fluorobenzene
CID 173202169
ethyl propan-2-yl (3-sulfanylphenyl)methyl phosphate
CID 166977725
tris[(4-fluorophenyl)methyl] phosphate
CID 139934024
(3,5-dimethoxyphenyl)methyl diethyl phosphate
CID 10828324
ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
CID 176690950
ethyl 3-amino-4-[(3-fluorophenyl)methoxy]benzoate
CID 82057348
3-ethoxy-4-[(3-fluorophenyl)methoxy]benzoic acid
CID 6462606
1-(3-bromo-2-ethylbutyl)-3-fluorobenzene
CID 63471794
4-O-[(3-fluorophenyl)methyl] 1-O-heptyl benzene-1,4-dicarboxylate
CID 91738345
(3-fluorophenyl)methylphosphonic acid
CID 14926087

Frequently Asked Questions

What is the IUPAC name of diethyl (3-fluorophenyl)methyl phosphate?
The IUPAC name of diethyl (3-fluorophenyl)methyl phosphate (CID 68974246) is diethyl (3-fluorophenyl)methyl phosphate.
What is the SMILES notation for diethyl (3-fluorophenyl)methyl phosphate?
The canonical SMILES for diethyl (3-fluorophenyl)methyl phosphate is CCOP(=O)(OCC)OCc1cccc(F)c1.
What is the InChIKey of diethyl (3-fluorophenyl)methyl phosphate?
The InChIKey is ZWVDNIIXSCFLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FO4P/c1-3-14-17(13,15-4-2)16-9-10-6-5-7-11(12)8-10/h5-8H,3-4,9H2,1-2H3.
What are the key properties of diethyl (3-fluorophenyl)methyl phosphate?
diethyl (3-fluorophenyl)methyl phosphate has a molecular weight of 262.22 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (3-fluorophenyl)methyl phosphate is sourced from PubChem (CID 68974246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).