dipotassium;4-(4-fluorobenzoyl)benzene-1,3-dicarboxylate

C15H7FK2O5 — CID 101195591

IUPACdipotassium;4-(4-fluorobenzoyl)benzene-1,3-dicarboxylate
SMILESO=C([O-])c1ccc(C(=O)c2ccc(F)cc2)c(C(=O)[O-])c1.[K+].[K+]
InChIInChI=1S/C15H9FO5.2K/c16-10-4-1-8(2-5-10)13(17)11-6-3-9(14(18)19)7-12(11)15(20)21;;/h1-7H,(H,18,19)(H,20,21);;/q;2*+1/p-2
InChIKeyVDMKQBNPNCEOOF-UHFFFAOYSA-L
MW364.41 g/mol
LogP-6.21
Rot. Bonds4

About dipotassium;4-(4-fluorobenzoyl)benzene-1,3-dicarboxylate

dipotassium;4-(4-fluorobenzoyl)benzene-1,3-dicarboxylate (PubChem CID 101195591) has the molecular formula C15H7FK2O5 and a molecular weight of 364.41 g/mol. Its IUPAC name is dipotassium;4-(4-fluorobenzoyl)benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedipotassium;4-(4-fluorobenzoyl)benzene-1,3-dicarboxylate
PubChem CID101195591
Molecular FormulaC15H7FK2O5
Molecular Weight364.41 g/mol
Exact Mass363.96
IUPAC Namedipotassium;4-(4-fluorobenzoyl)benzene-1,3-dicarboxylate
SMILESO=C([O-])c1ccc(C(=O)c2ccc(F)cc2)c(C(=O)[O-])c1.[K+].[K+]
InChIInChI=1S/C15H9FO5.2K/c16-10-4-1-8(2-5-10)13(17)11-6-3-9(14(18)19)7-12(11)15(20)21;;/h1-7H,(H,18,19)(H,20,21);;/q;2*+1/p-2
InChIKeyVDMKQBNPNCEOOF-UHFFFAOYSA-L
XLogP-6.21
TPSA97.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 5-6.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze dipotassium;4-(4-fluorobenzoyl)benzene-1,3-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorobenzoyl)benzoate
CID 5082940
benzene;benzene-1,2,4-tricarboxylate
CID 19097982
4-fluorophthalate
CID 36688510
copper bis(4-fluorobenzoate)
CID 70452334
disodium;4-carboxybenzene-1,3-dicarboxylate
CID 70295725
(2-benzoyl-4-fluorophenyl)-(4-fluorophenyl)methanone
CID 139633468
2-(4-nitrobenzoyl)terephthalate
CID 4534019
benzene-1,2,4-tricarboxylate;tris(1H-pyrrol-1-ium)
CID 141107559
potassium 4-(4-fluorobenzoyl)phenolate
CID 102457690
2-iodoterephthalate
CID 23436472
dipotassium;terephthalate
CID 25981
4-(2,4-dicarboxylatophenyl)benzene-1,3-dicarboxylate;formaldehyde;tetrakis(rubidium(1+))
CID 90474756

Frequently Asked Questions

What is the IUPAC name of dipotassium;4-(4-fluorobenzoyl)benzene-1,3-dicarboxylate?
The IUPAC name of dipotassium;4-(4-fluorobenzoyl)benzene-1,3-dicarboxylate (CID 101195591) is dipotassium;4-(4-fluorobenzoyl)benzene-1,3-dicarboxylate.
What is the SMILES notation for dipotassium;4-(4-fluorobenzoyl)benzene-1,3-dicarboxylate?
The canonical SMILES for dipotassium;4-(4-fluorobenzoyl)benzene-1,3-dicarboxylate is O=C([O-])c1ccc(C(=O)c2ccc(F)cc2)c(C(=O)[O-])c1.[K+].[K+].
What is the InChIKey of dipotassium;4-(4-fluorobenzoyl)benzene-1,3-dicarboxylate?
The InChIKey is VDMKQBNPNCEOOF-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H9FO5.2K/c16-10-4-1-8(2-5-10)13(17)11-6-3-9(14(18)19)7-12(11)15(20)21;;/h1-7H,(H,18,19)(H,20,21);;/q;2*+1/p-2.
What are the key properties of dipotassium;4-(4-fluorobenzoyl)benzene-1,3-dicarboxylate?
dipotassium;4-(4-fluorobenzoyl)benzene-1,3-dicarboxylate has a molecular weight of 364.41 g/mol, XLogP of -6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;4-(4-fluorobenzoyl)benzene-1,3-dicarboxylate is sourced from PubChem (CID 101195591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).