1-ethenylsulfonyl-3,3,4,4-tetrafluoropyrrolidine

C6H7F4NO2S — CID 130631722

IUPAC1-ethenylsulfonyl-3,3,4,4-tetrafluoropyrrolidine
SMILESC=CS(=O)(=O)N1CC(F)(F)C(F)(F)C1
InChIInChI=1S/C6H7F4NO2S/c1-2-14(12,13)11-3-5(7,8)6(9,10)4-11/h2H,1,3-4H2
InChIKeyAEJKFSLEHBEODB-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.05
Rot. Bonds2

About 1-ethenylsulfonyl-3,3,4,4-tetrafluoropyrrolidine

1-ethenylsulfonyl-3,3,4,4-tetrafluoropyrrolidine (PubChem CID 130631722) has the molecular formula C6H7F4NO2S and a molecular weight of 233.19 g/mol. Its IUPAC name is 1-ethenylsulfonyl-3,3,4,4-tetrafluoropyrrolidine.

Molecular Properties

Compound Name1-ethenylsulfonyl-3,3,4,4-tetrafluoropyrrolidine
PubChem CID130631722
Molecular FormulaC6H7F4NO2S
Molecular Weight233.19 g/mol
Exact Mass233.01
IUPAC Name1-ethenylsulfonyl-3,3,4,4-tetrafluoropyrrolidine
SMILESC=CS(=O)(=O)N1CC(F)(F)C(F)(F)C1
InChIInChI=1S/C6H7F4NO2S/c1-2-14(12,13)11-3-5(7,8)6(9,10)4-11/h2H,1,3-4H2
InChIKeyAEJKFSLEHBEODB-UHFFFAOYSA-N
XLogP1.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Ethenesulfonyl)pyrrolidine
CID 15914515
3,3-Difluoro-1-(vinylsulfonyl)pyrrolidine
CID 58557782
1-(3,3,3-Trifluoropropylsulfonyl)pyrrolidine
CID 90460183
1-Ethenylsulfinyl-3,3-difluoropyrrolidine
CID 129130908
1-Ethenylsulfonyl-2-fluoropyrrolidine
CID 174671019
1-(2,2-Difluoroethylsulfonyl)pyrrolidine
CID 130620169
1-(2,2,2-Trifluoroethylsulfonyl)pyrrolidine
CID 131103092

Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfonyl-3,3,4,4-tetrafluoropyrrolidine?
The IUPAC name of 1-ethenylsulfonyl-3,3,4,4-tetrafluoropyrrolidine (CID 130631722) is 1-ethenylsulfonyl-3,3,4,4-tetrafluoropyrrolidine.
What is the SMILES notation for 1-ethenylsulfonyl-3,3,4,4-tetrafluoropyrrolidine?
The canonical SMILES for 1-ethenylsulfonyl-3,3,4,4-tetrafluoropyrrolidine is C=CS(=O)(=O)N1CC(F)(F)C(F)(F)C1.
What is the InChIKey of 1-ethenylsulfonyl-3,3,4,4-tetrafluoropyrrolidine?
The InChIKey is AEJKFSLEHBEODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F4NO2S/c1-2-14(12,13)11-3-5(7,8)6(9,10)4-11/h2H,1,3-4H2.
What are the key properties of 1-ethenylsulfonyl-3,3,4,4-tetrafluoropyrrolidine?
1-ethenylsulfonyl-3,3,4,4-tetrafluoropyrrolidine has a molecular weight of 233.19 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfonyl-3,3,4,4-tetrafluoropyrrolidine is sourced from PubChem (CID 130631722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).