2-(2-acetyl-4-fluorophenoxy)-2,2-difluoroacetate

C10H6F3O4- — CID 162450975

IUPAC2-(2-acetyl-4-fluorophenoxy)-2,2-difluoroacetate
SMILESCC(=O)c1cc(F)ccc1OC(F)(F)C(=O)[O-]
InChIInChI=1S/C10H7F3O4/c1-5(14)7-4-6(11)2-3-8(7)17-10(12,13)9(15)16/h2-4H,1H3,(H,15,16)/p-1
InChIKeyLXOLIDHCUIAJPT-UHFFFAOYSA-M
MW247.15 g/mol
LogP0.75
Rot. Bonds4

About 2-(2-acetyl-4-fluorophenoxy)-2,2-difluoroacetate

2-(2-acetyl-4-fluorophenoxy)-2,2-difluoroacetate (PubChem CID 162450975) has the molecular formula C10H6F3O4- and a molecular weight of 247.15 g/mol. Its IUPAC name is 2-(2-acetyl-4-fluorophenoxy)-2,2-difluoroacetate.

Molecular Properties

Compound Name2-(2-acetyl-4-fluorophenoxy)-2,2-difluoroacetate
PubChem CID162450975
Molecular FormulaC10H6F3O4-
Molecular Weight247.15 g/mol
Exact Mass247.02
IUPAC Name2-(2-acetyl-4-fluorophenoxy)-2,2-difluoroacetate
SMILESCC(=O)c1cc(F)ccc1OC(F)(F)C(=O)[O-]
InChIInChI=1S/C10H7F3O4/c1-5(14)7-4-6(11)2-3-8(7)17-10(12,13)9(15)16/h2-4H,1H3,(H,15,16)/p-1
InChIKeyLXOLIDHCUIAJPT-UHFFFAOYSA-M
XLogP0.75
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.15
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethanone
CID 131527772
1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethanone
CID 14797581
1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone
CID 78992368
2,2-difluoro-2-(3-fluorophenoxy)acetate
CID 162451015
2-bromo-1-[5-fluoro-2-(trifluoromethoxy)phenyl]propan-1-one
CID 119018750
1-[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]ethanone
CID 78906404
1-[5-fluoro-2-(3-methylsulfonylpropoxy)phenyl]ethanone
CID 78925927
1-[2-(3-chloro-2-hydroxypropoxy)-5-fluorophenyl]ethanone
CID 112560860
1-[5-fluoro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]ethanone
CID 112787668
2-(2-acetyl-4-fluorophenoxy)propanamide
CID 78906193
1-[2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanone
CID 103046643
1-[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone
CID 78906393

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-fluorophenoxy)-2,2-difluoroacetate?
The IUPAC name of 2-(2-acetyl-4-fluorophenoxy)-2,2-difluoroacetate (CID 162450975) is 2-(2-acetyl-4-fluorophenoxy)-2,2-difluoroacetate.
What is the SMILES notation for 2-(2-acetyl-4-fluorophenoxy)-2,2-difluoroacetate?
The canonical SMILES for 2-(2-acetyl-4-fluorophenoxy)-2,2-difluoroacetate is CC(=O)c1cc(F)ccc1OC(F)(F)C(=O)[O-].
What is the InChIKey of 2-(2-acetyl-4-fluorophenoxy)-2,2-difluoroacetate?
The InChIKey is LXOLIDHCUIAJPT-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H7F3O4/c1-5(14)7-4-6(11)2-3-8(7)17-10(12,13)9(15)16/h2-4H,1H3,(H,15,16)/p-1.
What are the key properties of 2-(2-acetyl-4-fluorophenoxy)-2,2-difluoroacetate?
2-(2-acetyl-4-fluorophenoxy)-2,2-difluoroacetate has a molecular weight of 247.15 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4-fluorophenoxy)-2,2-difluoroacetate is sourced from PubChem (CID 162450975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).