2-(4-fluorobenzoyl)benzoate

C14H8FO3- — CID 5082940

IUPAC2-(4-fluorobenzoyl)benzoate
SMILESO=C([O-])c1ccccc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H9FO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18)/p-1
InChIKeyFJAZVXUPZQSZKI-UHFFFAOYSA-M
MW243.21 g/mol
LogP1.42
Rot. Bonds3

About 2-(4-fluorobenzoyl)benzoate

2-(4-fluorobenzoyl)benzoate (PubChem CID 5082940) has the molecular formula C14H8FO3- and a molecular weight of 243.21 g/mol. Its IUPAC name is 2-(4-fluorobenzoyl)benzoate.

Molecular Properties

Compound Name2-(4-fluorobenzoyl)benzoate
PubChem CID5082940
Molecular FormulaC14H8FO3-
Molecular Weight243.21 g/mol
Exact Mass243.05
IUPAC Name2-(4-fluorobenzoyl)benzoate
SMILESO=C([O-])c1ccccc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H9FO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18)/p-1
InChIKeyFJAZVXUPZQSZKI-UHFFFAOYSA-M
XLogP1.42
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dipotassium;4-(4-fluorobenzoyl)benzene-1,3-dicarboxylate
CID 101195591
[2-(4-fluorobenzoyl)phenyl]azanium
CID 101152012
N',2-bis(4-fluorobenzoyl)benzohydrazide
CID 55554421
(2-benzoyl-4-fluorophenyl)-(4-fluorophenyl)methanone
CID 139633468
(4-fluorophenyl)-phenylmethanone
CID 161464622
2-[2-(4-fluorobenzoyl)phenyl]acetic acid
CID 132556862
2-[(4-fluoroanilino)carbamoyl]benzoate
CID 7021038
trimagnesium;phthalate
CID 142758668
disilver;phthalate
CID 21449237
pentakis(lead(2+));phthalate
CID 173427098
lead(2+) dihydride;phthalate
CID 155293254
nickel(2+);phthalate
CID 15798393

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobenzoyl)benzoate?
The IUPAC name of 2-(4-fluorobenzoyl)benzoate (CID 5082940) is 2-(4-fluorobenzoyl)benzoate.
What is the SMILES notation for 2-(4-fluorobenzoyl)benzoate?
The canonical SMILES for 2-(4-fluorobenzoyl)benzoate is O=C([O-])c1ccccc1C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorobenzoyl)benzoate?
The InChIKey is FJAZVXUPZQSZKI-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H9FO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18)/p-1.
What are the key properties of 2-(4-fluorobenzoyl)benzoate?
2-(4-fluorobenzoyl)benzoate has a molecular weight of 243.21 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobenzoyl)benzoate is sourced from PubChem (CID 5082940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).