potassium 2,2-difluoro-2-(4-methylphenyl)acetate

C9H7F2KO2 — CID 141426164

IUPACpotassium 2,2-difluoro-2-(4-methylphenyl)acetate
SMILESCc1ccc(C(F)(F)C(=O)[O-])cc1.[K+]
InChIInChI=1S/C9H8F2O2.K/c1-6-2-4-7(5-3-6)9(10,11)8(12)13;/h2-5H,1H3,(H,12,13);/q;+1/p-1
InChIKeyOPXMSRWYRSMXKK-UHFFFAOYSA-M
MW224.25 g/mol
LogP-2.16
Rot. Bonds2

About potassium 2,2-difluoro-2-(4-methylphenyl)acetate

potassium 2,2-difluoro-2-(4-methylphenyl)acetate (PubChem CID 141426164) has the molecular formula C9H7F2KO2 and a molecular weight of 224.25 g/mol. Its IUPAC name is potassium 2,2-difluoro-2-(4-methylphenyl)acetate.

Molecular Properties

Compound Namepotassium 2,2-difluoro-2-(4-methylphenyl)acetate
PubChem CID141426164
Molecular FormulaC9H7F2KO2
Molecular Weight224.25 g/mol
Exact Mass224.01
IUPAC Namepotassium 2,2-difluoro-2-(4-methylphenyl)acetate
SMILESCc1ccc(C(F)(F)C(=O)[O-])cc1.[K+]
InChIInChI=1S/C9H8F2O2.K/c1-6-2-4-7(5-3-6)9(10,11)8(12)13;/h2-5H,1H3,(H,12,13);/q;+1/p-1
InChIKeyOPXMSRWYRSMXKK-UHFFFAOYSA-M
XLogP-2.16
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 5-2.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis(4-methylphenyl)-phenylsulfanium;2,2,2-trifluoroacetate
CID 172792663
2,2-difluoro-2-(4-methylphenyl)-N-phenylacetamide
CID 102584725
(2S)-2-azaniumyl-2-(4-methylphenyl)butanoate
CID 7046916
1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene
CID 14938913
1-[dichloro(fluoro)methyl]-4-methylbenzene
CID 70232782
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
3-fluoro-3-(4-methylphenyl)butanoic acid
CID 83818698
benzyl 2,2-difluoro-2-(4-methylphenyl)acetate
CID 170055273
4-methyl-N-(trifluoromethylsulfanyl)benzamide
CID 150038589
ethyl 2-[4-[4-(2-ethoxy-1,1-difluoro-2-oxoethyl)phenyl]phenyl]-2,2-difluoroacetate
CID 58543748
[difluoro-(4-methylphenyl)methyl]thallium
CID 153168176
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308

Frequently Asked Questions

What is the IUPAC name of potassium 2,2-difluoro-2-(4-methylphenyl)acetate?
The IUPAC name of potassium 2,2-difluoro-2-(4-methylphenyl)acetate (CID 141426164) is potassium 2,2-difluoro-2-(4-methylphenyl)acetate.
What is the SMILES notation for potassium 2,2-difluoro-2-(4-methylphenyl)acetate?
The canonical SMILES for potassium 2,2-difluoro-2-(4-methylphenyl)acetate is Cc1ccc(C(F)(F)C(=O)[O-])cc1.[K+].
What is the InChIKey of potassium 2,2-difluoro-2-(4-methylphenyl)acetate?
The InChIKey is OPXMSRWYRSMXKK-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H8F2O2.K/c1-6-2-4-7(5-3-6)9(10,11)8(12)13;/h2-5H,1H3,(H,12,13);/q;+1/p-1.
What are the key properties of potassium 2,2-difluoro-2-(4-methylphenyl)acetate?
potassium 2,2-difluoro-2-(4-methylphenyl)acetate has a molecular weight of 224.25 g/mol, XLogP of -2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2,2-difluoro-2-(4-methylphenyl)acetate is sourced from PubChem (CID 141426164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).