1-(2,6-difluorophenyl)-2-[methoxy(methyl)phosphoryl]oxyethanone

C10H11F2O4P — CID 57052661

IUPAC1-(2,6-difluorophenyl)-2-[methoxy(methyl)phosphoryl]oxyethanone
SMILESCOP(C)(=O)OCC(=O)c1c(F)cccc1F
InChIInChI=1S/C10H11F2O4P/c1-15-17(2,14)16-6-9(13)10-7(11)4-3-5-8(10)12/h3-5H,6H2,1-2H3
InChIKeyKIARJZWJNJGZMR-UHFFFAOYSA-N
MW264.16 g/mol
LogP2.63
Rot. Bonds5

About 1-(2,6-difluorophenyl)-2-[methoxy(methyl)phosphoryl]oxyethanone

1-(2,6-difluorophenyl)-2-[methoxy(methyl)phosphoryl]oxyethanone (PubChem CID 57052661) has the molecular formula C10H11F2O4P and a molecular weight of 264.16 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[methoxy(methyl)phosphoryl]oxyethanone.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[methoxy(methyl)phosphoryl]oxyethanone
PubChem CID57052661
Molecular FormulaC10H11F2O4P
Molecular Weight264.16 g/mol
Exact Mass264.04
IUPAC Name1-(2,6-difluorophenyl)-2-[methoxy(methyl)phosphoryl]oxyethanone
SMILESCOP(C)(=O)OCC(=O)c1c(F)cccc1F
InChIInChI=1S/C10H11F2O4P/c1-15-17(2,14)16-6-9(13)10-7(11)4-3-5-8(10)12/h3-5H,6H2,1-2H3
InChIKeyKIARJZWJNJGZMR-UHFFFAOYSA-N
XLogP2.63
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 52.63
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

1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)propan-1-one
CID 102927411
1-(2,6-difluorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43222244
1-(2,6-difluorophenyl)-2-pent-4-enoxyethanone
CID 79114859
1-(2,6-difluorophenyl)-3-methylbut-3-en-1-one
CID 79522478
1-(2,6-difluorophenyl)butane-1,3-dione
CID 43089596
1-(2,6-difluorophenyl)-2-pentan-2-yloxyethanone
CID 102982848
1-(2,6-difluorophenyl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 61218583
2-(2-butoxyethoxy)-1-(2,6-difluorophenyl)ethanone
CID 43800204
2-(4-chlorophenoxy)-1-(2,6-difluorophenyl)ethanone
CID 60662333
1-(2,6-difluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43612545
1-(2,6-difluorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008925
2-amino-1-(2,6-difluorophenyl)ethanone;hydrochloride
CID 44717362

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[methoxy(methyl)phosphoryl]oxyethanone?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[methoxy(methyl)phosphoryl]oxyethanone (CID 57052661) is 1-(2,6-difluorophenyl)-2-[methoxy(methyl)phosphoryl]oxyethanone.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[methoxy(methyl)phosphoryl]oxyethanone?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[methoxy(methyl)phosphoryl]oxyethanone is COP(C)(=O)OCC(=O)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[methoxy(methyl)phosphoryl]oxyethanone?
The InChIKey is KIARJZWJNJGZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2O4P/c1-15-17(2,14)16-6-9(13)10-7(11)4-3-5-8(10)12/h3-5H,6H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[methoxy(methyl)phosphoryl]oxyethanone?
1-(2,6-difluorophenyl)-2-[methoxy(methyl)phosphoryl]oxyethanone has a molecular weight of 264.16 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[methoxy(methyl)phosphoryl]oxyethanone is sourced from PubChem (CID 57052661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).