potassium 4-fluoro-3-(trifluoromethyl)phenolate

C7H3F4KO — CID 23697190

IUPACpotassium 4-fluoro-3-(trifluoromethyl)phenolate
SMILES[K+].[O-]c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C7H4F4O.K/c8-6-2-1-4(12)3-5(6)7(9,10)11;/h1-3,12H;/q;+1/p-1
InChIKeyRWLOWDDFIPPQGU-UHFFFAOYSA-M
MW218.19 g/mol
LogP-1.08
Rot. Bonds

About potassium 4-fluoro-3-(trifluoromethyl)phenolate

potassium 4-fluoro-3-(trifluoromethyl)phenolate (PubChem CID 23697190) has the molecular formula C7H3F4KO and a molecular weight of 218.19 g/mol. Its IUPAC name is potassium 4-fluoro-3-(trifluoromethyl)phenolate.

Molecular Properties

Compound Namepotassium 4-fluoro-3-(trifluoromethyl)phenolate
PubChem CID23697190
Molecular FormulaC7H3F4KO
Molecular Weight218.19 g/mol
Exact Mass217.98
IUPAC Namepotassium 4-fluoro-3-(trifluoromethyl)phenolate
SMILES[K+].[O-]c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C7H4F4O.K/c8-6-2-1-4(12)3-5(6)7(9,10)11;/h1-3,12H;/q;+1/p-1
InChIKeyRWLOWDDFIPPQGU-UHFFFAOYSA-M
XLogP-1.08
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.19
LogP ≤ 5-1.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of potassium 4-fluoro-3-(trifluoromethyl)phenolate?
The IUPAC name of potassium 4-fluoro-3-(trifluoromethyl)phenolate (CID 23697190) is potassium 4-fluoro-3-(trifluoromethyl)phenolate.
What is the SMILES notation for potassium 4-fluoro-3-(trifluoromethyl)phenolate?
The canonical SMILES for potassium 4-fluoro-3-(trifluoromethyl)phenolate is [K+].[O-]c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of potassium 4-fluoro-3-(trifluoromethyl)phenolate?
The InChIKey is RWLOWDDFIPPQGU-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H4F4O.K/c8-6-2-1-4(12)3-5(6)7(9,10)11;/h1-3,12H;/q;+1/p-1.
What are the key properties of potassium 4-fluoro-3-(trifluoromethyl)phenolate?
potassium 4-fluoro-3-(trifluoromethyl)phenolate has a molecular weight of 218.19 g/mol, XLogP of -1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-fluoro-3-(trifluoromethyl)phenolate is sourced from PubChem (CID 23697190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).