1-ethenylsulfonyl-3,3-difluoropyrrolidine

C6H9F2NO2S — CID 58557782

IUPAC1-ethenylsulfonyl-3,3-difluoropyrrolidine
SMILESC=CS(=O)(=O)N1CCC(F)(F)C1
InChIInChI=1S/C6H9F2NO2S/c1-2-12(10,11)9-4-3-6(7,8)5-9/h2H,1,3-5H2
InChIKeyFUPYSFKDOCPEAU-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.80
Rot. Bonds2

About 1-ethenylsulfonyl-3,3-difluoropyrrolidine

1-ethenylsulfonyl-3,3-difluoropyrrolidine (PubChem CID 58557782) has the molecular formula C6H9F2NO2S and a molecular weight of 197.21 g/mol. Its IUPAC name is 1-ethenylsulfonyl-3,3-difluoropyrrolidine.

Molecular Properties

Compound Name1-ethenylsulfonyl-3,3-difluoropyrrolidine
PubChem CID58557782
Molecular FormulaC6H9F2NO2S
Molecular Weight197.21 g/mol
Exact Mass197.03
IUPAC Name1-ethenylsulfonyl-3,3-difluoropyrrolidine
SMILESC=CS(=O)(=O)N1CCC(F)(F)C1
InChIInChI=1S/C6H9F2NO2S/c1-2-12(10,11)9-4-3-6(7,8)5-9/h2H,1,3-5H2
InChIKeyFUPYSFKDOCPEAU-UHFFFAOYSA-N
XLogP0.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfonyl-3,3-difluoropyrrolidine?
The IUPAC name of 1-ethenylsulfonyl-3,3-difluoropyrrolidine (CID 58557782) is 1-ethenylsulfonyl-3,3-difluoropyrrolidine.
What is the SMILES notation for 1-ethenylsulfonyl-3,3-difluoropyrrolidine?
The canonical SMILES for 1-ethenylsulfonyl-3,3-difluoropyrrolidine is C=CS(=O)(=O)N1CCC(F)(F)C1.
What is the InChIKey of 1-ethenylsulfonyl-3,3-difluoropyrrolidine?
The InChIKey is FUPYSFKDOCPEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2S/c1-2-12(10,11)9-4-3-6(7,8)5-9/h2H,1,3-5H2.
What are the key properties of 1-ethenylsulfonyl-3,3-difluoropyrrolidine?
1-ethenylsulfonyl-3,3-difluoropyrrolidine has a molecular weight of 197.21 g/mol, XLogP of 0.80, 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-difluoropyrrolidine is sourced from PubChem (CID 58557782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).