potassium 4-(4-fluorobenzoyl)phenolate

C13H8FKO2 — CID 102457690

IUPACpotassium 4-(4-fluorobenzoyl)phenolate
SMILESO=C(c1ccc([O-])cc1)c1ccc(F)cc1.[K+]
InChIInChI=1S/C13H9FO2.K/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;/h1-8,15H;/q;+1/p-1
InChIKeyQGILMIKRMXDTIM-UHFFFAOYSA-M
MW254.30 g/mol
LogP-0.87
Rot. Bonds2

About potassium 4-(4-fluorobenzoyl)phenolate

potassium 4-(4-fluorobenzoyl)phenolate (PubChem CID 102457690) has the molecular formula C13H8FKO2 and a molecular weight of 254.30 g/mol. Its IUPAC name is potassium 4-(4-fluorobenzoyl)phenolate.

Molecular Properties

Compound Namepotassium 4-(4-fluorobenzoyl)phenolate
PubChem CID102457690
Molecular FormulaC13H8FKO2
Molecular Weight254.30 g/mol
Exact Mass254.01
IUPAC Namepotassium 4-(4-fluorobenzoyl)phenolate
SMILESO=C(c1ccc([O-])cc1)c1ccc(F)cc1.[K+]
InChIInChI=1S/C13H9FO2.K/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;/h1-8,15H;/q;+1/p-1
InChIKeyQGILMIKRMXDTIM-UHFFFAOYSA-M
XLogP-0.87
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 5-0.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)-phenylmethanone
CID 161464622
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
4-(4-fluorobenzoyl)benzenesulfonic acid
CID 139945300
[4-(chloromethyl)phenyl]-(4-fluorophenyl)methanone
CID 18779900
(3,5-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159976
copper bis(4-fluorobenzoate)
CID 70452334
[3-[3-(4-fluorobenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone
CID 71341049
dipotassium;4-(4-fluorobenzoyl)benzene-1,3-dicarboxylate
CID 101195591
adamantane;(4-fluorophenyl)-phenylmethanone
CID 174728613
4-[4-(4-fluorobenzoyl)phenyl]benzaldehyde
CID 175444205
(4-fluorophenyl)-[4-(trifluoromethylsulfanyl)phenyl]methanone
CID 3021172
2-(4-fluorobenzoyl)benzoate
CID 5082940

Frequently Asked Questions

What is the IUPAC name of potassium 4-(4-fluorobenzoyl)phenolate?
The IUPAC name of potassium 4-(4-fluorobenzoyl)phenolate (CID 102457690) is potassium 4-(4-fluorobenzoyl)phenolate.
What is the SMILES notation for potassium 4-(4-fluorobenzoyl)phenolate?
The canonical SMILES for potassium 4-(4-fluorobenzoyl)phenolate is O=C(c1ccc([O-])cc1)c1ccc(F)cc1.[K+].
What is the InChIKey of potassium 4-(4-fluorobenzoyl)phenolate?
The InChIKey is QGILMIKRMXDTIM-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H9FO2.K/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;/h1-8,15H;/q;+1/p-1.
What are the key properties of potassium 4-(4-fluorobenzoyl)phenolate?
potassium 4-(4-fluorobenzoyl)phenolate has a molecular weight of 254.30 g/mol, XLogP of -0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-(4-fluorobenzoyl)phenolate is sourced from PubChem (CID 102457690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).