argon;ethyl (2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoate

C6H9ArF3O3 — CID 87096419

IUPACargon;ethyl (2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoate
SMILESCCOC(=O)[C@@](C)(O)C(F)(F)F.[Ar]
InChIInChI=1S/C6H9F3O3.Ar/c1-3-12-4(10)5(2,11)6(7,8)9;/h11H,3H2,1-2H3;/t5-;/m1./s1
InChIKeyYOZFDSNDRNYARM-NUBCRITNSA-N
MW226.08 g/mol
LogP0.86
Rot. Bonds2

About argon;ethyl (2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoate

argon;ethyl (2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoate (PubChem CID 87096419) has the molecular formula C6H9ArF3O3 and a molecular weight of 226.08 g/mol. Its IUPAC name is argon;ethyl (2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Nameargon;ethyl (2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoate
PubChem CID87096419
Molecular FormulaC6H9ArF3O3
Molecular Weight226.08 g/mol
Exact Mass226.01
IUPAC Nameargon;ethyl (2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoate
SMILESCCOC(=O)[C@@](C)(O)C(F)(F)F.[Ar]
InChIInChI=1S/C6H9F3O3.Ar/c1-3-12-4(10)5(2,11)6(7,8)9;/h11H,3H2,1-2H3;/t5-;/m1./s1
InChIKeyYOZFDSNDRNYARM-NUBCRITNSA-N
XLogP0.86
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.08
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of argon;ethyl (2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoate?
The IUPAC name of argon;ethyl (2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoate (CID 87096419) is argon;ethyl (2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoate.
What is the SMILES notation for argon;ethyl (2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoate?
The canonical SMILES for argon;ethyl (2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoate is CCOC(=O)[C@@](C)(O)C(F)(F)F.[Ar].
What is the InChIKey of argon;ethyl (2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoate?
The InChIKey is YOZFDSNDRNYARM-NUBCRITNSA-N. The full InChI is InChI=1S/C6H9F3O3.Ar/c1-3-12-4(10)5(2,11)6(7,8)9;/h11H,3H2,1-2H3;/t5-;/m1./s1.
What are the key properties of argon;ethyl (2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoate?
argon;ethyl (2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoate has a molecular weight of 226.08 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for argon;ethyl (2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 87096419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).