sodium;2,2,2-trifluoroacetate;hydrate

C2H2F3NaO3 — CID 141088528

IUPACsodium;2,2,2-trifluoroacetate;hydrate
SMILESO.O=C([O-])C(F)(F)F.[Na+]
InChIInChI=1S/C2HF3O2.Na.H2O/c3-2(4,5)1(6)7;;/h(H,6,7);;1H2/q;+1;/p-1
InChIKeyDBMXOPPBVGAPBU-UHFFFAOYSA-M
MW154.02 g/mol
LogP-4.52
Rot. Bonds

About sodium;2,2,2-trifluoroacetate;hydrate

sodium;2,2,2-trifluoroacetate;hydrate (PubChem CID 141088528) has the molecular formula C2H2F3NaO3 and a molecular weight of 154.02 g/mol. Its IUPAC name is sodium;2,2,2-trifluoroacetate;hydrate.

Molecular Properties

Compound Namesodium;2,2,2-trifluoroacetate;hydrate
PubChem CID141088528
Molecular FormulaC2H2F3NaO3
Molecular Weight154.02 g/mol
Exact Mass153.99
IUPAC Namesodium;2,2,2-trifluoroacetate;hydrate
SMILESO.O=C([O-])C(F)(F)F.[Na+]
InChIInChI=1S/C2HF3O2.Na.H2O/c3-2(4,5)1(6)7;;/h(H,6,7);;1H2/q;+1;/p-1
InChIKeyDBMXOPPBVGAPBU-UHFFFAOYSA-M
XLogP-4.52
TPSA71.63 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.02
LogP ≤ 5-4.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze sodium;2,2,2-trifluoroacetate;hydrate 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
CID 517019
copper(1+);2,2,2-trifluoroacetate;tetrahydrate
CID 175128505
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
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;hydrate?
The IUPAC name of sodium;2,2,2-trifluoroacetate;hydrate (CID 141088528) is sodium;2,2,2-trifluoroacetate;hydrate.
What is the SMILES notation for sodium;2,2,2-trifluoroacetate;hydrate?
The canonical SMILES for sodium;2,2,2-trifluoroacetate;hydrate is O.O=C([O-])C(F)(F)F.[Na+].
What is the InChIKey of sodium;2,2,2-trifluoroacetate;hydrate?
The InChIKey is DBMXOPPBVGAPBU-UHFFFAOYSA-M. The full InChI is InChI=1S/C2HF3O2.Na.H2O/c3-2(4,5)1(6)7;;/h(H,6,7);;1H2/q;+1;/p-1.
What are the key properties of sodium;2,2,2-trifluoroacetate;hydrate?
sodium;2,2,2-trifluoroacetate;hydrate has a molecular weight of 154.02 g/mol, XLogP of -4.52, 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;hydrate is sourced from PubChem (CID 141088528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).