sodium;hydride;3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid

C5H5F6NaO2 — CID 173413742

IUPACsodium;hydride;3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid
SMILESCC(C(=O)O)(C(F)(F)F)C(F)(F)F.[H-].[Na+]
InChIInChI=1S/C5H4F6O2.Na.H/c1-3(2(12)13,4(6,7)8)5(9,10)11;;/h1H3,(H,12,13);;/q;+1;-1
InChIKeyRQLFZKLRHTUGAO-UHFFFAOYSA-N
MW234.07 g/mol
LogP-0.68
Rot. Bonds1

About sodium;hydride;3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid

sodium;hydride;3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid (PubChem CID 173413742) has the molecular formula C5H5F6NaO2 and a molecular weight of 234.07 g/mol. Its IUPAC name is sodium;hydride;3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid.

Molecular Properties

Compound Namesodium;hydride;3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid
PubChem CID173413742
Molecular FormulaC5H5F6NaO2
Molecular Weight234.07 g/mol
Exact Mass234.01
IUPAC Namesodium;hydride;3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid
SMILESCC(C(=O)O)(C(F)(F)F)C(F)(F)F.[H-].[Na+]
InChIInChI=1S/C5H4F6O2.Na.H/c1-3(2(12)13,4(6,7)8)5(9,10)11;;/h1H3,(H,12,13);;/q;+1;-1
InChIKeyRQLFZKLRHTUGAO-UHFFFAOYSA-N
XLogP-0.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.07
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid?
The IUPAC name of sodium;hydride;3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid (CID 173413742) is sodium;hydride;3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid.
What is the SMILES notation for sodium;hydride;3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid?
The canonical SMILES for sodium;hydride;3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid is CC(C(=O)O)(C(F)(F)F)C(F)(F)F.[H-].[Na+].
What is the InChIKey of sodium;hydride;3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid?
The InChIKey is RQLFZKLRHTUGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6O2.Na.H/c1-3(2(12)13,4(6,7)8)5(9,10)11;;/h1H3,(H,12,13);;/q;+1;-1.
What are the key properties of sodium;hydride;3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid?
sodium;hydride;3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid has a molecular weight of 234.07 g/mol, XLogP of -0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid is sourced from PubChem (CID 173413742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).