potassium 2-(trifluoromethyl)benzoate

C8H4F3KO2 — CID 162538888

IUPACpotassium 2-(trifluoromethyl)benzoate
SMILESO=C([O-])c1ccccc1C(F)(F)F.[K+]
InChIInChI=1S/C8H5F3O2.K/c9-8(10,11)6-4-2-1-3-5(6)7(12)13;/h1-4H,(H,12,13);/q;+1/p-1
InChIKeyYBRSOAHAMLFSSD-UHFFFAOYSA-M
MW228.21 g/mol
LogP-1.93
Rot. Bonds1

About potassium 2-(trifluoromethyl)benzoate

potassium 2-(trifluoromethyl)benzoate (PubChem CID 162538888) has the molecular formula C8H4F3KO2 and a molecular weight of 228.21 g/mol. Its IUPAC name is potassium 2-(trifluoromethyl)benzoate.

Molecular Properties

Compound Namepotassium 2-(trifluoromethyl)benzoate
PubChem CID162538888
Molecular FormulaC8H4F3KO2
Molecular Weight228.21 g/mol
Exact Mass227.98
IUPAC Namepotassium 2-(trifluoromethyl)benzoate
SMILESO=C([O-])c1ccccc1C(F)(F)F.[K+]
InChIInChI=1S/C8H5F3O2.K/c9-8(10,11)6-4-2-1-3-5(6)7(12)13;/h1-4H,(H,12,13);/q;+1/p-1
InChIKeyYBRSOAHAMLFSSD-UHFFFAOYSA-M
XLogP-1.93
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 5-1.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-carboxylato-6-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzoate
CID 157266168
bis(2-tert-butylbenzoate);cadmium(2+)
CID 71436894
2,6-bis(trifluoromethyl)benzoate
CID 6927052
2,6-bis(trifluoromethyl)benzoate;copper(1+)
CID 118193497
2-[2-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 117266986
methyl 2-(trifluoromethyl)benzoate
CID 2775578
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
sodium (E)-3-oxo-3-[2-(trifluoromethyl)phenyl]prop-1-en-1-olate
CID 63709707
disilver;phthalate
CID 21449237
pentakis(lead(2+));phthalate
CID 173427098
trimagnesium;phthalate
CID 142758668
lead(2+) dihydride;phthalate
CID 155293254

Frequently Asked Questions

What is the IUPAC name of potassium 2-(trifluoromethyl)benzoate?
The IUPAC name of potassium 2-(trifluoromethyl)benzoate (CID 162538888) is potassium 2-(trifluoromethyl)benzoate.
What is the SMILES notation for potassium 2-(trifluoromethyl)benzoate?
The canonical SMILES for potassium 2-(trifluoromethyl)benzoate is O=C([O-])c1ccccc1C(F)(F)F.[K+].
What is the InChIKey of potassium 2-(trifluoromethyl)benzoate?
The InChIKey is YBRSOAHAMLFSSD-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H5F3O2.K/c9-8(10,11)6-4-2-1-3-5(6)7(12)13;/h1-4H,(H,12,13);/q;+1/p-1.
What are the key properties of potassium 2-(trifluoromethyl)benzoate?
potassium 2-(trifluoromethyl)benzoate has a molecular weight of 228.21 g/mol, XLogP of -1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(trifluoromethyl)benzoate is sourced from PubChem (CID 162538888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).