2,2,3,3-tetrafluoro-4-(2-hydroxyethoxy)-4-oxobutanoic acid

C6H6F4O5 — CID 164747172

IUPAC2,2,3,3-tetrafluoro-4-(2-hydroxyethoxy)-4-oxobutanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)C(=O)OCCO
InChIInChI=1S/C6H6F4O5/c7-5(8,3(12)13)6(9,10)4(14)15-2-1-11/h11H,1-2H2,(H,12,13)
InChIKeyZPANUULZTSSCFS-UHFFFAOYSA-N
MW234.10 g/mol
LogP-0.12
Rot. Bonds5

About 2,2,3,3-tetrafluoro-4-(2-hydroxyethoxy)-4-oxobutanoic acid

2,2,3,3-tetrafluoro-4-(2-hydroxyethoxy)-4-oxobutanoic acid (PubChem CID 164747172) has the molecular formula C6H6F4O5 and a molecular weight of 234.10 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-4-(2-hydroxyethoxy)-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-4-(2-hydroxyethoxy)-4-oxobutanoic acid
PubChem CID164747172
Molecular FormulaC6H6F4O5
Molecular Weight234.10 g/mol
Exact Mass234.02
IUPAC Name2,2,3,3-tetrafluoro-4-(2-hydroxyethoxy)-4-oxobutanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)C(=O)OCCO
InChIInChI=1S/C6H6F4O5/c7-5(8,3(12)13)6(9,10)4(14)15-2-1-11/h11H,1-2H2,(H,12,13)
InChIKeyZPANUULZTSSCFS-UHFFFAOYSA-N
XLogP-0.12
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.10
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-4-(2-hydroxyethoxy)-4-oxobutanoic acid?
The IUPAC name of 2,2,3,3-tetrafluoro-4-(2-hydroxyethoxy)-4-oxobutanoic acid (CID 164747172) is 2,2,3,3-tetrafluoro-4-(2-hydroxyethoxy)-4-oxobutanoic acid.
What is the SMILES notation for 2,2,3,3-tetrafluoro-4-(2-hydroxyethoxy)-4-oxobutanoic acid?
The canonical SMILES for 2,2,3,3-tetrafluoro-4-(2-hydroxyethoxy)-4-oxobutanoic acid is O=C(O)C(F)(F)C(F)(F)C(=O)OCCO.
What is the InChIKey of 2,2,3,3-tetrafluoro-4-(2-hydroxyethoxy)-4-oxobutanoic acid?
The InChIKey is ZPANUULZTSSCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F4O5/c7-5(8,3(12)13)6(9,10)4(14)15-2-1-11/h11H,1-2H2,(H,12,13).
What are the key properties of 2,2,3,3-tetrafluoro-4-(2-hydroxyethoxy)-4-oxobutanoic acid?
2,2,3,3-tetrafluoro-4-(2-hydroxyethoxy)-4-oxobutanoic acid has a molecular weight of 234.10 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-4-(2-hydroxyethoxy)-4-oxobutanoic acid is sourced from PubChem (CID 164747172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).