2,2,3,3-tetrafluoro-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoate

C8H6F4NO4- — CID 164746304

IUPAC2,2,3,3-tetrafluoro-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoate
SMILESO=C1CCCN1C(=O)C(F)(F)C(F)(F)C(=O)[O-]
InChIInChI=1S/C8H7F4NO4/c9-7(10,8(11,12)6(16)17)5(15)13-3-1-2-4(13)14/h1-3H2,(H,16,17)/p-1
InChIKeyDKIGYSLRQPCKPA-UHFFFAOYSA-M
MW256.13 g/mol
LogP-0.84
Rot. Bonds3

About 2,2,3,3-tetrafluoro-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoate

2,2,3,3-tetrafluoro-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoate (PubChem CID 164746304) has the molecular formula C8H6F4NO4- and a molecular weight of 256.13 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoate.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoate
PubChem CID164746304
Molecular FormulaC8H6F4NO4-
Molecular Weight256.13 g/mol
Exact Mass256.02
IUPAC Name2,2,3,3-tetrafluoro-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoate
SMILESO=C1CCCN1C(=O)C(F)(F)C(F)(F)C(=O)[O-]
InChIInChI=1S/C8H7F4NO4/c9-7(10,8(11,12)6(16)17)5(15)13-3-1-2-4(13)14/h1-3H2,(H,16,17)/p-1
InChIKeyDKIGYSLRQPCKPA-UHFFFAOYSA-M
XLogP-0.84
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
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-oxo-4-(2-oxopyrrolidin-1-yl)butanoate?
The IUPAC name of 2,2,3,3-tetrafluoro-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoate (CID 164746304) is 2,2,3,3-tetrafluoro-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoate.
What is the SMILES notation for 2,2,3,3-tetrafluoro-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoate?
The canonical SMILES for 2,2,3,3-tetrafluoro-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoate is O=C1CCCN1C(=O)C(F)(F)C(F)(F)C(=O)[O-].
What is the InChIKey of 2,2,3,3-tetrafluoro-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoate?
The InChIKey is DKIGYSLRQPCKPA-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7F4NO4/c9-7(10,8(11,12)6(16)17)5(15)13-3-1-2-4(13)14/h1-3H2,(H,16,17)/p-1.
What are the key properties of 2,2,3,3-tetrafluoro-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoate?
2,2,3,3-tetrafluoro-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoate has a molecular weight of 256.13 g/mol, XLogP of -0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoate is sourced from PubChem (CID 164746304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).