(4E)-1-ethyl-3,3-difluoro-4-(fluoromethylidene)pyrrolidine-2,5-dione

C7H6F3NO2 — CID 155351155

IUPAC(4E)-1-ethyl-3,3-difluoro-4-(fluoromethylidene)pyrrolidine-2,5-dione
SMILESCCN1C(=O)/C(=C\F)C(F)(F)C1=O
InChIInChI=1S/C7H6F3NO2/c1-2-11-5(12)4(3-8)7(9,10)6(11)13/h3H,2H2,1H3/b4-3+
InChIKeyAGVASCLJPHHQOQ-ONEGZZNKSA-N
MW193.12 g/mol
LogP0.86
Rot. Bonds1

About (4E)-1-ethyl-3,3-difluoro-4-(fluoromethylidene)pyrrolidine-2,5-dione

(4E)-1-ethyl-3,3-difluoro-4-(fluoromethylidene)pyrrolidine-2,5-dione (PubChem CID 155351155) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is (4E)-1-ethyl-3,3-difluoro-4-(fluoromethylidene)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(4E)-1-ethyl-3,3-difluoro-4-(fluoromethylidene)pyrrolidine-2,5-dione
PubChem CID155351155
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name(4E)-1-ethyl-3,3-difluoro-4-(fluoromethylidene)pyrrolidine-2,5-dione
SMILESCCN1C(=O)/C(=C\F)C(F)(F)C1=O
InChIInChI=1S/C7H6F3NO2/c1-2-11-5(12)4(3-8)7(9,10)6(11)13/h3H,2H2,1H3/b4-3+
InChIKeyAGVASCLJPHHQOQ-ONEGZZNKSA-N
XLogP0.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-1-ethyl-3,3-difluoro-4-(fluoromethylidene)pyrrolidine-2,5-dione?
The IUPAC name of (4E)-1-ethyl-3,3-difluoro-4-(fluoromethylidene)pyrrolidine-2,5-dione (CID 155351155) is (4E)-1-ethyl-3,3-difluoro-4-(fluoromethylidene)pyrrolidine-2,5-dione.
What is the SMILES notation for (4E)-1-ethyl-3,3-difluoro-4-(fluoromethylidene)pyrrolidine-2,5-dione?
The canonical SMILES for (4E)-1-ethyl-3,3-difluoro-4-(fluoromethylidene)pyrrolidine-2,5-dione is CCN1C(=O)/C(=C\F)C(F)(F)C1=O.
What is the InChIKey of (4E)-1-ethyl-3,3-difluoro-4-(fluoromethylidene)pyrrolidine-2,5-dione?
The InChIKey is AGVASCLJPHHQOQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H6F3NO2/c1-2-11-5(12)4(3-8)7(9,10)6(11)13/h3H,2H2,1H3/b4-3+.
What are the key properties of (4E)-1-ethyl-3,3-difluoro-4-(fluoromethylidene)pyrrolidine-2,5-dione?
(4E)-1-ethyl-3,3-difluoro-4-(fluoromethylidene)pyrrolidine-2,5-dione has a molecular weight of 193.12 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-1-ethyl-3,3-difluoro-4-(fluoromethylidene)pyrrolidine-2,5-dione is sourced from PubChem (CID 155351155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).