[4-(2-fluorobenzoyl)oxyphenyl] 2-fluorobenzoate

C20H12F2O4 — CID 579414

IUPAC[4-(2-fluorobenzoyl)oxyphenyl] 2-fluorobenzoate
SMILESO=C(Oc1ccc(OC(=O)c2ccccc2F)cc1)c1ccccc1F
InChIInChI=1S/C20H12F2O4/c21-17-7-3-1-5-15(17)19(23)25-13-9-11-14(12-10-13)26-20(24)16-6-2-4-8-18(16)22/h1-12H
InChIKeyOIJYPGQHZZPQMX-UHFFFAOYSA-N
MW354.31 g/mol
LogP4.40
Rot. Bonds4

About [4-(2-fluorobenzoyl)oxyphenyl] 2-fluorobenzoate

[4-(2-fluorobenzoyl)oxyphenyl] 2-fluorobenzoate (PubChem CID 579414) has the molecular formula C20H12F2O4 and a molecular weight of 354.31 g/mol. Its IUPAC name is [4-(2-fluorobenzoyl)oxyphenyl] 2-fluorobenzoate.

Molecular Properties

Compound Name[4-(2-fluorobenzoyl)oxyphenyl] 2-fluorobenzoate
PubChem CID579414
Molecular FormulaC20H12F2O4
Molecular Weight354.31 g/mol
Exact Mass354.07
IUPAC Name[4-(2-fluorobenzoyl)oxyphenyl] 2-fluorobenzoate
SMILESO=C(Oc1ccc(OC(=O)c2ccccc2F)cc1)c1ccccc1F
InChIInChI=1S/C20H12F2O4/c21-17-7-3-1-5-15(17)19(23)25-13-9-11-14(12-10-13)26-20(24)16-6-2-4-8-18(16)22/h1-12H
InChIKeyOIJYPGQHZZPQMX-UHFFFAOYSA-N
XLogP4.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-fluorobenzoyl)oxybenzoic acid
CID 54854449
(4-acetylphenyl) 2-fluorobenzoate
CID 23011837
(3,5-dimethylphenyl) 2-fluorobenzoate
CID 532442
[4-[9-[4-(2-fluorobenzoyl)oxyphenyl]fluoren-9-yl]phenyl] 2-fluorobenzoate
CID 4034550
(4-carbamimidoylphenyl) 2-fluorobenzoate
CID 10445218
[4-(propanoylamino)phenyl] 2-fluorobenzoate
CID 17087286
phenyl 3-fluoro-2-hydroxybenzoate
CID 13004451
dimethyl 5-(2-fluorobenzoyl)oxybenzene-1,3-dicarboxylate
CID 2462733
bromo 2-fluorobenzoate
CID 68843510
[4-[(benzoylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate
CID 4095842
bis(4-aminophenyl) benzene-1,2-dicarboxylate
CID 20517221
[4-[(1S,2R,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]phenyl] 2-fluorobenzoate
CID 124715368

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorobenzoyl)oxyphenyl] 2-fluorobenzoate?
The IUPAC name of [4-(2-fluorobenzoyl)oxyphenyl] 2-fluorobenzoate (CID 579414) is [4-(2-fluorobenzoyl)oxyphenyl] 2-fluorobenzoate.
What is the SMILES notation for [4-(2-fluorobenzoyl)oxyphenyl] 2-fluorobenzoate?
The canonical SMILES for [4-(2-fluorobenzoyl)oxyphenyl] 2-fluorobenzoate is O=C(Oc1ccc(OC(=O)c2ccccc2F)cc1)c1ccccc1F.
What is the InChIKey of [4-(2-fluorobenzoyl)oxyphenyl] 2-fluorobenzoate?
The InChIKey is OIJYPGQHZZPQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2O4/c21-17-7-3-1-5-15(17)19(23)25-13-9-11-14(12-10-13)26-20(24)16-6-2-4-8-18(16)22/h1-12H.
What are the key properties of [4-(2-fluorobenzoyl)oxyphenyl] 2-fluorobenzoate?
[4-(2-fluorobenzoyl)oxyphenyl] 2-fluorobenzoate has a molecular weight of 354.31 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorobenzoyl)oxyphenyl] 2-fluorobenzoate is sourced from PubChem (CID 579414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).