(4-fluorobenzoyl) 4-fluorobenzoate

C14H8F2O3 — CID 579438

IUPAC(4-fluorobenzoyl) 4-fluorobenzoate
SMILESO=C(OC(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H8F2O3/c15-11-5-1-9(2-6-11)13(17)19-14(18)10-3-7-12(16)8-4-10/h1-8H
InChIKeyBBLXFRIGTQYGOT-UHFFFAOYSA-N
MW262.21 g/mol
LogP2.96
Rot. Bonds2

About (4-fluorobenzoyl) 4-fluorobenzoate

(4-fluorobenzoyl) 4-fluorobenzoate (PubChem CID 579438) has the molecular formula C14H8F2O3 and a molecular weight of 262.21 g/mol. Its IUPAC name is (4-fluorobenzoyl) 4-fluorobenzoate.

Molecular Properties

Compound Name(4-fluorobenzoyl) 4-fluorobenzoate
PubChem CID579438
Molecular FormulaC14H8F2O3
Molecular Weight262.21 g/mol
Exact Mass262.04
IUPAC Name(4-fluorobenzoyl) 4-fluorobenzoate
SMILESO=C(OC(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H8F2O3/c15-11-5-1-9(2-6-11)13(17)19-14(18)10-3-7-12(16)8-4-10/h1-8H
InChIKeyBBLXFRIGTQYGOT-UHFFFAOYSA-N
XLogP2.96
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-fluorobenzoyl) 4-fluorobenzoate?
The IUPAC name of (4-fluorobenzoyl) 4-fluorobenzoate (CID 579438) is (4-fluorobenzoyl) 4-fluorobenzoate.
What is the SMILES notation for (4-fluorobenzoyl) 4-fluorobenzoate?
The canonical SMILES for (4-fluorobenzoyl) 4-fluorobenzoate is O=C(OC(=O)c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of (4-fluorobenzoyl) 4-fluorobenzoate?
The InChIKey is BBLXFRIGTQYGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2O3/c15-11-5-1-9(2-6-11)13(17)19-14(18)10-3-7-12(16)8-4-10/h1-8H.
What are the key properties of (4-fluorobenzoyl) 4-fluorobenzoate?
(4-fluorobenzoyl) 4-fluorobenzoate has a molecular weight of 262.21 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorobenzoyl) 4-fluorobenzoate is sourced from PubChem (CID 579438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).