potassium 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoate

C17H13F2KO3 — CID 23699503

IUPACpotassium 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoate
SMILESCC(CC(=O)c1ccc(-c2ccc(F)cc2F)cc1)C(=O)[O-].[K+]
InChIInChI=1S/C17H14F2O3.K/c1-10(17(21)22)8-16(20)12-4-2-11(3-5-12)14-7-6-13(18)9-15(14)19;/h2-7,9-10H,8H2,1H3,(H,21,22);/q;+1/p-1
InChIKeyCMMOAZYPDRTMIC-UHFFFAOYSA-M
MW342.38 g/mol
LogP-0.41
Rot. Bonds5

About potassium 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoate

potassium 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoate (PubChem CID 23699503) has the molecular formula C17H13F2KO3 and a molecular weight of 342.38 g/mol. Its IUPAC name is potassium 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoate.

Molecular Properties

Compound Namepotassium 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoate
PubChem CID23699503
Molecular FormulaC17H13F2KO3
Molecular Weight342.38 g/mol
Exact Mass342.05
IUPAC Namepotassium 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoate
SMILESCC(CC(=O)c1ccc(-c2ccc(F)cc2F)cc1)C(=O)[O-].[K+]
InChIInChI=1S/C17H14F2O3.K/c1-10(17(21)22)8-16(20)12-4-2-11(3-5-12)14-7-6-13(18)9-15(14)19;/h2-7,9-10H,8H2,1H3,(H,21,22);/q;+1/p-1
InChIKeyCMMOAZYPDRTMIC-UHFFFAOYSA-M
XLogP-0.41
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 21154987
CID 21154987
4-[4-(4-fluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid
CID 24835772
4-(2,4-difluorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 119060880
1-(3-fluoro-4-phenylphenyl)-2-methylbutan-1-one
CID 146006704
3-[4-(2,4-difluorophenyl)phenyl]but-2-en-1-ol
CID 54113945
1-[4-(1-bromoethyl)phenyl]-2,4-difluorobenzene
CID 21322621
2-[2-[4-(4-fluorophenyl)phenyl]-2-oxoethyl]-4-methylpentanoic acid
CID 139887967
1-[4-(4-bromo-2-fluorophenyl)phenyl]propan-1-one
CID 822002
2-methylpropyl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate
CID 155887634
propan-2-yl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate
CID 24843423
2-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]acetic acid
CID 151855786
6-(2,4-difluorophenyl)naphthalene-2-carboxylic acid
CID 172868740

Frequently Asked Questions

What is the IUPAC name of potassium 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoate?
The IUPAC name of potassium 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoate (CID 23699503) is potassium 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoate.
What is the SMILES notation for potassium 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoate?
The canonical SMILES for potassium 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoate is CC(CC(=O)c1ccc(-c2ccc(F)cc2F)cc1)C(=O)[O-].[K+].
What is the InChIKey of potassium 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoate?
The InChIKey is CMMOAZYPDRTMIC-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H14F2O3.K/c1-10(17(21)22)8-16(20)12-4-2-11(3-5-12)14-7-6-13(18)9-15(14)19;/h2-7,9-10H,8H2,1H3,(H,21,22);/q;+1/p-1.
What are the key properties of potassium 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoate?
potassium 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoate has a molecular weight of 342.38 g/mol, XLogP of -0.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoate is sourced from PubChem (CID 23699503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).