2-(3,3-difluoropyrrolidin-1-yl)sulfonylpropanenitrile

C7H10F2N2O2S — CID 130664273

IUPAC2-(3,3-difluoropyrrolidin-1-yl)sulfonylpropanenitrile
SMILESCC(C#N)S(=O)(=O)N1CCC(F)(F)C1
InChIInChI=1S/C7H10F2N2O2S/c1-6(4-10)14(12,13)11-3-2-7(8,9)5-11/h6H,2-3,5H2,1H3
InChIKeyLIDROEZCRLRCTP-UHFFFAOYSA-N
MW224.23 g/mol
LogP0.57
Rot. Bonds2

About 2-(3,3-difluoropyrrolidin-1-yl)sulfonylpropanenitrile

2-(3,3-difluoropyrrolidin-1-yl)sulfonylpropanenitrile (PubChem CID 130664273) has the molecular formula C7H10F2N2O2S and a molecular weight of 224.23 g/mol. Its IUPAC name is 2-(3,3-difluoropyrrolidin-1-yl)sulfonylpropanenitrile.

Molecular Properties

Compound Name2-(3,3-difluoropyrrolidin-1-yl)sulfonylpropanenitrile
PubChem CID130664273
Molecular FormulaC7H10F2N2O2S
Molecular Weight224.23 g/mol
Exact Mass224.04
IUPAC Name2-(3,3-difluoropyrrolidin-1-yl)sulfonylpropanenitrile
SMILESCC(C#N)S(=O)(=O)N1CCC(F)(F)C1
InChIInChI=1S/C7H10F2N2O2S/c1-6(4-10)14(12,13)11-3-2-7(8,9)5-11/h6H,2-3,5H2,1H3
InChIKeyLIDROEZCRLRCTP-UHFFFAOYSA-N
XLogP0.57
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)sulfonylpropanenitrile?
The IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)sulfonylpropanenitrile (CID 130664273) is 2-(3,3-difluoropyrrolidin-1-yl)sulfonylpropanenitrile.
What is the SMILES notation for 2-(3,3-difluoropyrrolidin-1-yl)sulfonylpropanenitrile?
The canonical SMILES for 2-(3,3-difluoropyrrolidin-1-yl)sulfonylpropanenitrile is CC(C#N)S(=O)(=O)N1CCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoropyrrolidin-1-yl)sulfonylpropanenitrile?
The InChIKey is LIDROEZCRLRCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O2S/c1-6(4-10)14(12,13)11-3-2-7(8,9)5-11/h6H,2-3,5H2,1H3.
What are the key properties of 2-(3,3-difluoropyrrolidin-1-yl)sulfonylpropanenitrile?
2-(3,3-difluoropyrrolidin-1-yl)sulfonylpropanenitrile has a molecular weight of 224.23 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropyrrolidin-1-yl)sulfonylpropanenitrile is sourced from PubChem (CID 130664273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).