2-(2,5-difluorobenzoyl)benzoic acid

C14H8F2O3 — CID 755506

IUPAC2-(2,5-difluorobenzoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H8F2O3/c15-8-5-6-12(16)11(7-8)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,(H,18,19)
InChIKeyRNHIUPRMCMNDFX-UHFFFAOYSA-N
MW262.21 g/mol
LogP2.89
Rot. Bonds3

About 2-(2,5-difluorobenzoyl)benzoic acid

2-(2,5-difluorobenzoyl)benzoic acid (PubChem CID 755506) has the molecular formula C14H8F2O3 and a molecular weight of 262.21 g/mol. Its IUPAC name is 2-(2,5-difluorobenzoyl)benzoic acid.

Molecular Properties

Compound Name2-(2,5-difluorobenzoyl)benzoic acid
PubChem CID755506
Molecular FormulaC14H8F2O3
Molecular Weight262.21 g/mol
Exact Mass262.04
IUPAC Name2-(2,5-difluorobenzoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H8F2O3/c15-8-5-6-12(16)11(7-8)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,(H,18,19)
InChIKeyRNHIUPRMCMNDFX-UHFFFAOYSA-N
XLogP2.89
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorobenzoyl)benzoic acid?
The IUPAC name of 2-(2,5-difluorobenzoyl)benzoic acid (CID 755506) is 2-(2,5-difluorobenzoyl)benzoic acid.
What is the SMILES notation for 2-(2,5-difluorobenzoyl)benzoic acid?
The canonical SMILES for 2-(2,5-difluorobenzoyl)benzoic acid is O=C(O)c1ccccc1C(=O)c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorobenzoyl)benzoic acid?
The InChIKey is RNHIUPRMCMNDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2O3/c15-8-5-6-12(16)11(7-8)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,(H,18,19).
What are the key properties of 2-(2,5-difluorobenzoyl)benzoic acid?
2-(2,5-difluorobenzoyl)benzoic acid has a molecular weight of 262.21 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorobenzoyl)benzoic acid is sourced from PubChem (CID 755506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).