(4-acetylphenyl) 2-fluorobenzoate

C15H11FO3 — CID 23011837

IUPAC(4-acetylphenyl) 2-fluorobenzoate
SMILESCC(=O)c1ccc(OC(=O)c2ccccc2F)cc1
InChIInChI=1S/C15H11FO3/c1-10(17)11-6-8-12(9-7-11)19-15(18)13-4-2-3-5-14(13)16/h2-9H,1H3
InChIKeyVGKQWCZFQFOXRB-UHFFFAOYSA-N
MW258.25 g/mol
LogP3.25
Rot. Bonds3

About (4-acetylphenyl) 2-fluorobenzoate

(4-acetylphenyl) 2-fluorobenzoate (PubChem CID 23011837) has the molecular formula C15H11FO3 and a molecular weight of 258.25 g/mol. Its IUPAC name is (4-acetylphenyl) 2-fluorobenzoate.

Molecular Properties

Compound Name(4-acetylphenyl) 2-fluorobenzoate
PubChem CID23011837
Molecular FormulaC15H11FO3
Molecular Weight258.25 g/mol
Exact Mass258.07
IUPAC Name(4-acetylphenyl) 2-fluorobenzoate
SMILESCC(=O)c1ccc(OC(=O)c2ccccc2F)cc1
InChIInChI=1S/C15H11FO3/c1-10(17)11-6-8-12(9-7-11)19-15(18)13-4-2-3-5-14(13)16/h2-9H,1H3
InChIKeyVGKQWCZFQFOXRB-UHFFFAOYSA-N
XLogP3.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-fluorobenzoyl)oxyphenyl] 2-fluorobenzoate
CID 579414
4-(2-fluorobenzoyl)oxybenzoic acid
CID 54854449
(4-carbamimidoylphenyl) 2-fluorobenzoate
CID 10445218
(4-acetylphenyl) 2-[methyl(methylsulfonyl)amino]benzoate
CID 18152012
(3,5-dimethylphenyl) 2-fluorobenzoate
CID 532442
dimethyl 5-(2-fluorobenzoyl)oxybenzene-1,3-dicarboxylate
CID 2462733
[4-(propanoylamino)phenyl] 2-fluorobenzoate
CID 17087286
(4-acetylphenyl) 2-propoxybenzoate
CID 23011739
phenyl 2-acetylbenzoate
CID 102060857
[4-[9-[4-(2-fluorobenzoyl)oxyphenyl]fluoren-9-yl]phenyl] 2-fluorobenzoate
CID 4034550
(4-acetylphenyl) 3-acetylbenzoate
CID 58763507
[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 24686549

Frequently Asked Questions

What is the IUPAC name of (4-acetylphenyl) 2-fluorobenzoate?
The IUPAC name of (4-acetylphenyl) 2-fluorobenzoate (CID 23011837) is (4-acetylphenyl) 2-fluorobenzoate.
What is the SMILES notation for (4-acetylphenyl) 2-fluorobenzoate?
The canonical SMILES for (4-acetylphenyl) 2-fluorobenzoate is CC(=O)c1ccc(OC(=O)c2ccccc2F)cc1.
What is the InChIKey of (4-acetylphenyl) 2-fluorobenzoate?
The InChIKey is VGKQWCZFQFOXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO3/c1-10(17)11-6-8-12(9-7-11)19-15(18)13-4-2-3-5-14(13)16/h2-9H,1H3.
What are the key properties of (4-acetylphenyl) 2-fluorobenzoate?
(4-acetylphenyl) 2-fluorobenzoate has a molecular weight of 258.25 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetylphenyl) 2-fluorobenzoate is sourced from PubChem (CID 23011837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).