1-(2-fluoroethyl)-3-methylsulfonylpyrrolidine

C7H14FNO2S — CID 130629166

IUPAC1-(2-fluoroethyl)-3-methylsulfonylpyrrolidine
SMILESCS(=O)(=O)C1CCN(CCF)C1
InChIInChI=1S/C7H14FNO2S/c1-12(10,11)7-2-4-9(6-7)5-3-8/h7H,2-6H2,1H3
InChIKeyXXNJJWSZQZPRNF-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.07
Rot. Bonds3

About 1-(2-fluoroethyl)-3-methylsulfonylpyrrolidine

1-(2-fluoroethyl)-3-methylsulfonylpyrrolidine (PubChem CID 130629166) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-methylsulfonylpyrrolidine
PubChem CID130629166
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name1-(2-fluoroethyl)-3-methylsulfonylpyrrolidine
SMILESCS(=O)(=O)C1CCN(CCF)C1
InChIInChI=1S/C7H14FNO2S/c1-12(10,11)7-2-4-9(6-7)5-3-8/h7H,2-6H2,1H3
InChIKeyXXNJJWSZQZPRNF-UHFFFAOYSA-N
XLogP0.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-methylsulfonylpyrrolidine?
The IUPAC name of 1-(2-fluoroethyl)-3-methylsulfonylpyrrolidine (CID 130629166) is 1-(2-fluoroethyl)-3-methylsulfonylpyrrolidine.
What is the SMILES notation for 1-(2-fluoroethyl)-3-methylsulfonylpyrrolidine?
The canonical SMILES for 1-(2-fluoroethyl)-3-methylsulfonylpyrrolidine is CS(=O)(=O)C1CCN(CCF)C1.
What is the InChIKey of 1-(2-fluoroethyl)-3-methylsulfonylpyrrolidine?
The InChIKey is XXNJJWSZQZPRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c1-12(10,11)7-2-4-9(6-7)5-3-8/h7H,2-6H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-3-methylsulfonylpyrrolidine?
1-(2-fluoroethyl)-3-methylsulfonylpyrrolidine has a molecular weight of 195.26 g/mol, XLogP of 0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-methylsulfonylpyrrolidine is sourced from PubChem (CID 130629166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).