2-(1-fluoro-3-propylsulfonylpropyl)pyrrolidine

C10H20FNO2S — CID 106735987

IUPAC2-(1-fluoro-3-propylsulfonylpropyl)pyrrolidine
SMILESCCCS(=O)(=O)CCC(F)C1CCCN1
InChIInChI=1S/C10H20FNO2S/c1-2-7-15(13,14)8-5-9(11)10-4-3-6-12-10/h9-10,12H,2-8H2,1H3
InChIKeyDEMHSYFFGILDMW-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.29
Rot. Bonds6

About 2-(1-fluoro-3-propylsulfonylpropyl)pyrrolidine

2-(1-fluoro-3-propylsulfonylpropyl)pyrrolidine (PubChem CID 106735987) has the molecular formula C10H20FNO2S and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(1-fluoro-3-propylsulfonylpropyl)pyrrolidine.

Molecular Properties

Compound Name2-(1-fluoro-3-propylsulfonylpropyl)pyrrolidine
PubChem CID106735987
Molecular FormulaC10H20FNO2S
Molecular Weight237.34 g/mol
Exact Mass237.12
IUPAC Name2-(1-fluoro-3-propylsulfonylpropyl)pyrrolidine
SMILESCCCS(=O)(=O)CCC(F)C1CCCN1
InChIInChI=1S/C10H20FNO2S/c1-2-7-15(13,14)8-5-9(11)10-4-3-6-12-10/h9-10,12H,2-8H2,1H3
InChIKeyDEMHSYFFGILDMW-UHFFFAOYSA-N
XLogP1.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoro-3-propylsulfonylpropyl)pyrrolidine?
The IUPAC name of 2-(1-fluoro-3-propylsulfonylpropyl)pyrrolidine (CID 106735987) is 2-(1-fluoro-3-propylsulfonylpropyl)pyrrolidine.
What is the SMILES notation for 2-(1-fluoro-3-propylsulfonylpropyl)pyrrolidine?
The canonical SMILES for 2-(1-fluoro-3-propylsulfonylpropyl)pyrrolidine is CCCS(=O)(=O)CCC(F)C1CCCN1.
What is the InChIKey of 2-(1-fluoro-3-propylsulfonylpropyl)pyrrolidine?
The InChIKey is DEMHSYFFGILDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO2S/c1-2-7-15(13,14)8-5-9(11)10-4-3-6-12-10/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-(1-fluoro-3-propylsulfonylpropyl)pyrrolidine?
2-(1-fluoro-3-propylsulfonylpropyl)pyrrolidine has a molecular weight of 237.34 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoro-3-propylsulfonylpropyl)pyrrolidine is sourced from PubChem (CID 106735987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).