bis(2,2,2-trifluoroethyl) (2R,3R)-2,3-dihydroxybutanedioate

C8H8F6O6 — CID 24867806

IUPACbis(2,2,2-trifluoroethyl) (2R,3R)-2,3-dihydroxybutanedioate
SMILESO=C(OCC(F)(F)F)[C@H](O)[C@@H](O)C(=O)OCC(F)(F)F
InChIInChI=1S/C8H8F6O6/c9-7(10,11)1-19-5(17)3(15)4(16)6(18)20-2-8(12,13)14/h3-4,15-16H,1-2H2/t3-,4-/m1/s1
InChIKeyKDFRWCCXTMMBTK-QWWZWVQMSA-N
MW314.13 g/mol
LogP-0.08
Rot. Bonds5

About bis(2,2,2-trifluoroethyl) (2R,3R)-2,3-dihydroxybutanedioate

bis(2,2,2-trifluoroethyl) (2R,3R)-2,3-dihydroxybutanedioate (PubChem CID 24867806) has the molecular formula C8H8F6O6 and a molecular weight of 314.13 g/mol. Its IUPAC name is bis(2,2,2-trifluoroethyl) (2R,3R)-2,3-dihydroxybutanedioate.

Molecular Properties

Compound Namebis(2,2,2-trifluoroethyl) (2R,3R)-2,3-dihydroxybutanedioate
PubChem CID24867806
Molecular FormulaC8H8F6O6
Molecular Weight314.13 g/mol
Exact Mass314.02
IUPAC Namebis(2,2,2-trifluoroethyl) (2R,3R)-2,3-dihydroxybutanedioate
SMILESO=C(OCC(F)(F)F)[C@H](O)[C@@H](O)C(=O)OCC(F)(F)F
InChIInChI=1S/C8H8F6O6/c9-7(10,11)1-19-5(17)3(15)4(16)6(18)20-2-8(12,13)14/h3-4,15-16H,1-2H2/t3-,4-/m1/s1
InChIKeyKDFRWCCXTMMBTK-QWWZWVQMSA-N
XLogP-0.08
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis(2,2,2-trifluoroethyl) (2R,3R)-2,3-dihydroxybutanedioate?
The IUPAC name of bis(2,2,2-trifluoroethyl) (2R,3R)-2,3-dihydroxybutanedioate (CID 24867806) is bis(2,2,2-trifluoroethyl) (2R,3R)-2,3-dihydroxybutanedioate.
What is the SMILES notation for bis(2,2,2-trifluoroethyl) (2R,3R)-2,3-dihydroxybutanedioate?
The canonical SMILES for bis(2,2,2-trifluoroethyl) (2R,3R)-2,3-dihydroxybutanedioate is O=C(OCC(F)(F)F)[C@H](O)[C@@H](O)C(=O)OCC(F)(F)F.
What is the InChIKey of bis(2,2,2-trifluoroethyl) (2R,3R)-2,3-dihydroxybutanedioate?
The InChIKey is KDFRWCCXTMMBTK-QWWZWVQMSA-N. The full InChI is InChI=1S/C8H8F6O6/c9-7(10,11)1-19-5(17)3(15)4(16)6(18)20-2-8(12,13)14/h3-4,15-16H,1-2H2/t3-,4-/m1/s1.
What are the key properties of bis(2,2,2-trifluoroethyl) (2R,3R)-2,3-dihydroxybutanedioate?
bis(2,2,2-trifluoroethyl) (2R,3R)-2,3-dihydroxybutanedioate has a molecular weight of 314.13 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,2-trifluoroethyl) (2R,3R)-2,3-dihydroxybutanedioate is sourced from PubChem (CID 24867806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).