1-ethenylsulfinyl-3,3-difluoropyrrolidine

C6H9F2NOS — CID 129130908

IUPAC1-ethenylsulfinyl-3,3-difluoropyrrolidine
SMILESC=CS(=O)N1CCC(F)(F)C1
InChIInChI=1S/C6H9F2NOS/c1-2-11(10)9-4-3-6(7,8)5-9/h2H,1,3-5H2
InChIKeyQENDITJHKJEDFF-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.13
Rot. Bonds2

About 1-ethenylsulfinyl-3,3-difluoropyrrolidine

1-ethenylsulfinyl-3,3-difluoropyrrolidine (PubChem CID 129130908) has the molecular formula C6H9F2NOS and a molecular weight of 181.21 g/mol. Its IUPAC name is 1-ethenylsulfinyl-3,3-difluoropyrrolidine.

Molecular Properties

Compound Name1-ethenylsulfinyl-3,3-difluoropyrrolidine
PubChem CID129130908
Molecular FormulaC6H9F2NOS
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC Name1-ethenylsulfinyl-3,3-difluoropyrrolidine
SMILESC=CS(=O)N1CCC(F)(F)C1
InChIInChI=1S/C6H9F2NOS/c1-2-11(10)9-4-3-6(7,8)5-9/h2H,1,3-5H2
InChIKeyQENDITJHKJEDFF-UHFFFAOYSA-N
XLogP1.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfinyl-3,3-difluoropyrrolidine?
The IUPAC name of 1-ethenylsulfinyl-3,3-difluoropyrrolidine (CID 129130908) is 1-ethenylsulfinyl-3,3-difluoropyrrolidine.
What is the SMILES notation for 1-ethenylsulfinyl-3,3-difluoropyrrolidine?
The canonical SMILES for 1-ethenylsulfinyl-3,3-difluoropyrrolidine is C=CS(=O)N1CCC(F)(F)C1.
What is the InChIKey of 1-ethenylsulfinyl-3,3-difluoropyrrolidine?
The InChIKey is QENDITJHKJEDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NOS/c1-2-11(10)9-4-3-6(7,8)5-9/h2H,1,3-5H2.
What are the key properties of 1-ethenylsulfinyl-3,3-difluoropyrrolidine?
1-ethenylsulfinyl-3,3-difluoropyrrolidine has a molecular weight of 181.21 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfinyl-3,3-difluoropyrrolidine is sourced from PubChem (CID 129130908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).