2,2,3,3-tetrafluoro-4-morpholin-4-yl-4-oxobutanoic acid

C8H9F4NO4 — CID 142578772

IUPAC2,2,3,3-tetrafluoro-4-morpholin-4-yl-4-oxobutanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C8H9F4NO4/c9-7(10,8(11,12)6(15)16)5(14)13-1-3-17-4-2-13/h1-4H2,(H,15,16)
InChIKeyCIZGLUNWWWRIAX-UHFFFAOYSA-N
MW259.15 g/mol
LogP0.20
Rot. Bonds3

About 2,2,3,3-tetrafluoro-4-morpholin-4-yl-4-oxobutanoic acid

2,2,3,3-tetrafluoro-4-morpholin-4-yl-4-oxobutanoic acid (PubChem CID 142578772) has the molecular formula C8H9F4NO4 and a molecular weight of 259.15 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-4-morpholin-4-yl-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-4-morpholin-4-yl-4-oxobutanoic acid
PubChem CID142578772
Molecular FormulaC8H9F4NO4
Molecular Weight259.15 g/mol
Exact Mass259.05
IUPAC Name2,2,3,3-tetrafluoro-4-morpholin-4-yl-4-oxobutanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C8H9F4NO4/c9-7(10,8(11,12)6(15)16)5(14)13-1-3-17-4-2-13/h1-4H2,(H,15,16)
InChIKeyCIZGLUNWWWRIAX-UHFFFAOYSA-N
XLogP0.20
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-morpholin-4-yl-4-oxobutanoic acid?
The IUPAC name of 2,2,3,3-tetrafluoro-4-morpholin-4-yl-4-oxobutanoic acid (CID 142578772) is 2,2,3,3-tetrafluoro-4-morpholin-4-yl-4-oxobutanoic acid.
What is the SMILES notation for 2,2,3,3-tetrafluoro-4-morpholin-4-yl-4-oxobutanoic acid?
The canonical SMILES for 2,2,3,3-tetrafluoro-4-morpholin-4-yl-4-oxobutanoic acid is O=C(O)C(F)(F)C(F)(F)C(=O)N1CCOCC1.
What is the InChIKey of 2,2,3,3-tetrafluoro-4-morpholin-4-yl-4-oxobutanoic acid?
The InChIKey is CIZGLUNWWWRIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4NO4/c9-7(10,8(11,12)6(15)16)5(14)13-1-3-17-4-2-13/h1-4H2,(H,15,16).
What are the key properties of 2,2,3,3-tetrafluoro-4-morpholin-4-yl-4-oxobutanoic acid?
2,2,3,3-tetrafluoro-4-morpholin-4-yl-4-oxobutanoic acid has a molecular weight of 259.15 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-4-morpholin-4-yl-4-oxobutanoic acid is sourced from PubChem (CID 142578772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).