potassium 2-(2,2,2-trifluoroethoxy)acetate

C4H4F3KO3 — CID 23717599

IUPACpotassium 2-(2,2,2-trifluoroethoxy)acetate
SMILESO=C([O-])COCC(F)(F)F.[K+]
InChIInChI=1S/C4H5F3O3.K/c5-4(6,7)2-10-1-3(8)9;/h1-2H2,(H,8,9);/q;+1/p-1
InChIKeyKYCYPJDZGSYIMO-UHFFFAOYSA-M
MW196.16 g/mol
LogP-3.68
Rot. Bonds3

About potassium 2-(2,2,2-trifluoroethoxy)acetate

potassium 2-(2,2,2-trifluoroethoxy)acetate (PubChem CID 23717599) has the molecular formula C4H4F3KO3 and a molecular weight of 196.16 g/mol. Its IUPAC name is potassium 2-(2,2,2-trifluoroethoxy)acetate.

Molecular Properties

Compound Namepotassium 2-(2,2,2-trifluoroethoxy)acetate
PubChem CID23717599
Molecular FormulaC4H4F3KO3
Molecular Weight196.16 g/mol
Exact Mass195.97
IUPAC Namepotassium 2-(2,2,2-trifluoroethoxy)acetate
SMILESO=C([O-])COCC(F)(F)F.[K+]
InChIInChI=1S/C4H5F3O3.K/c5-4(6,7)2-10-1-3(8)9;/h1-2H2,(H,8,9);/q;+1/p-1
InChIKeyKYCYPJDZGSYIMO-UHFFFAOYSA-M
XLogP-3.68
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 5-3.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium 2-(2,2,2-trifluoroethoxy)acetate?
The IUPAC name of potassium 2-(2,2,2-trifluoroethoxy)acetate (CID 23717599) is potassium 2-(2,2,2-trifluoroethoxy)acetate.
What is the SMILES notation for potassium 2-(2,2,2-trifluoroethoxy)acetate?
The canonical SMILES for potassium 2-(2,2,2-trifluoroethoxy)acetate is O=C([O-])COCC(F)(F)F.[K+].
What is the InChIKey of potassium 2-(2,2,2-trifluoroethoxy)acetate?
The InChIKey is KYCYPJDZGSYIMO-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H5F3O3.K/c5-4(6,7)2-10-1-3(8)9;/h1-2H2,(H,8,9);/q;+1/p-1.
What are the key properties of potassium 2-(2,2,2-trifluoroethoxy)acetate?
potassium 2-(2,2,2-trifluoroethoxy)acetate has a molecular weight of 196.16 g/mol, XLogP of -3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(2,2,2-trifluoroethoxy)acetate is sourced from PubChem (CID 23717599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).