(4-fluoro-2-propanoylphenyl) ethaneperoxoate

C11H11FO4 — CID 175011166

IUPAC(4-fluoro-2-propanoylphenyl) ethaneperoxoate
SMILESCCC(=O)c1cc(F)ccc1OOC(C)=O
InChIInChI=1S/C11H11FO4/c1-3-10(14)9-6-8(12)4-5-11(9)16-15-7(2)13/h4-6H,3H2,1-2H3
InChIKeyOUFYRPCLQZJDLU-UHFFFAOYSA-N
MW226.20 g/mol
LogP2.28
Rot. Bonds4

About (4-fluoro-2-propanoylphenyl) ethaneperoxoate

(4-fluoro-2-propanoylphenyl) ethaneperoxoate (PubChem CID 175011166) has the molecular formula C11H11FO4 and a molecular weight of 226.20 g/mol. Its IUPAC name is (4-fluoro-2-propanoylphenyl) ethaneperoxoate.

Molecular Properties

Compound Name(4-fluoro-2-propanoylphenyl) ethaneperoxoate
PubChem CID175011166
Molecular FormulaC11H11FO4
Molecular Weight226.20 g/mol
Exact Mass226.06
IUPAC Name(4-fluoro-2-propanoylphenyl) ethaneperoxoate
SMILESCCC(=O)c1cc(F)ccc1OOC(C)=O
InChIInChI=1S/C11H11FO4/c1-3-10(14)9-6-8(12)4-5-11(9)16-15-7(2)13/h4-6H,3H2,1-2H3
InChIKeyOUFYRPCLQZJDLU-UHFFFAOYSA-N
XLogP2.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(2,4-difluorophenyl) ethaneperoxoate
CID 87886342
1-(5-fluoro-2-propoxyphenyl)propan-1-one
CID 82268324
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
(2-chloro-4-fluorophenyl) propaneperoxoate
CID 174423371
1-[5-fluoro-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one
CID 20561425
1-(2-chloro-4-fluorophenyl)propan-1-one
CID 19009630
1-[2-(2-chloro-4-fluorophenoxy)phenyl]propan-1-one
CID 112677592
1-(5-fluoro-2-methoxyphenyl)hexan-1-one
CID 43161521
acetyl 5-fluoro-2-hydroxybenzoate
CID 174322900
4-chloro-1-(2-ethoxy-5-fluorophenyl)butan-1-one
CID 82268262
1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-one
CID 43161544
1-(5-fluoro-2-methoxyphenyl)-3-propoxypropan-1-one
CID 105125146

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-propanoylphenyl) ethaneperoxoate?
The IUPAC name of (4-fluoro-2-propanoylphenyl) ethaneperoxoate (CID 175011166) is (4-fluoro-2-propanoylphenyl) ethaneperoxoate.
What is the SMILES notation for (4-fluoro-2-propanoylphenyl) ethaneperoxoate?
The canonical SMILES for (4-fluoro-2-propanoylphenyl) ethaneperoxoate is CCC(=O)c1cc(F)ccc1OOC(C)=O.
What is the InChIKey of (4-fluoro-2-propanoylphenyl) ethaneperoxoate?
The InChIKey is OUFYRPCLQZJDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO4/c1-3-10(14)9-6-8(12)4-5-11(9)16-15-7(2)13/h4-6H,3H2,1-2H3.
What are the key properties of (4-fluoro-2-propanoylphenyl) ethaneperoxoate?
(4-fluoro-2-propanoylphenyl) ethaneperoxoate has a molecular weight of 226.20 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-propanoylphenyl) ethaneperoxoate is sourced from PubChem (CID 175011166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).