sodium 2,2,2-trifluoroacetate

C2F3NaO2 — CID 517019

IUPACsodium 2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[Na+]
InChIInChI=1S/C2HF3O2.Na/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1
InChIKeyUYCAUPASBSROMS-UHFFFAOYSA-M
MW136.00 g/mol
LogP-3.70
Rot. Bonds

About sodium 2,2,2-trifluoroacetate

sodium 2,2,2-trifluoroacetate (PubChem CID 517019) has the molecular formula C2F3NaO2 and a molecular weight of 136.00 g/mol. Its IUPAC name is sodium 2,2,2-trifluoroacetate.

Molecular Properties

Compound Namesodium 2,2,2-trifluoroacetate
PubChem CID517019
Molecular FormulaC2F3NaO2
Molecular Weight136.00 g/mol
Exact Mass135.97
IUPAC Namesodium 2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[Na+]
InChIInChI=1S/C2HF3O2.Na/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1
InChIKeyUYCAUPASBSROMS-UHFFFAOYSA-M
XLogP-3.70
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.00
LogP ≤ 5-3.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze sodium 2,2,2-trifluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium;2,2,2-trifluoroacetate;hydrate
CID 141088528
samarium;bis(2,2,2-trifluoroacetate)
CID 22462012
magnesium bis(2,2,2-trifluoroacetate)
CID 11139550
zinc 2,2,2-trifluoroacetate
CID 22604677
oxygen(2-);titanium(4+);2,2,2-trifluoroacetate
CID 157418814
copper(1+);2,2,2-trifluoroacetate;tetrahydrate
CID 175128505
iodanium;silver;bis(2,2,2-trifluoroacetate)
CID 158821992
2,2,2-trifluoroacetate acetate
CID 19379527
copper;barium(2+);gadolinium(3+);heptakis(2,2,2-trifluoroacetate)
CID 174678543
lithium;boric acid;2,2,2-trifluoroacetate
CID 159468247
potassium;phosphoric acid;2,2,2-trifluoroacetate
CID 175199303
carbamoylazanium;2,2,2-trifluoroacetate
CID 139614468

Frequently Asked Questions

What is the IUPAC name of sodium 2,2,2-trifluoroacetate?
The IUPAC name of sodium 2,2,2-trifluoroacetate (CID 517019) is sodium 2,2,2-trifluoroacetate.
What is the SMILES notation for sodium 2,2,2-trifluoroacetate?
The canonical SMILES for sodium 2,2,2-trifluoroacetate is O=C([O-])C(F)(F)F.[Na+].
What is the InChIKey of sodium 2,2,2-trifluoroacetate?
The InChIKey is UYCAUPASBSROMS-UHFFFAOYSA-M. The full InChI is InChI=1S/C2HF3O2.Na/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1.
What are the key properties of sodium 2,2,2-trifluoroacetate?
sodium 2,2,2-trifluoroacetate has a molecular weight of 136.00 g/mol, XLogP of -3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2,2,2-trifluoroacetate is sourced from PubChem (CID 517019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).