3-fluoro-2-(methylsulfonylmethyl)-1,5-di(propan-2-yl)pyrrolidine

C12H24FNO2S — CID 58778967

IUPAC3-fluoro-2-(methylsulfonylmethyl)-1,5-di(propan-2-yl)pyrrolidine
SMILESCC(C)C1CC(F)C(CS(C)(=O)=O)N1C(C)C
InChIInChI=1S/C12H24FNO2S/c1-8(2)11-6-10(13)12(7-17(5,15)16)14(11)9(3)4/h8-12H,6-7H2,1-5H3
InChIKeyZVAWCVJURITGOK-UHFFFAOYSA-N
MW265.39 g/mol
LogP1.88
Rot. Bonds4

About 3-fluoro-2-(methylsulfonylmethyl)-1,5-di(propan-2-yl)pyrrolidine

3-fluoro-2-(methylsulfonylmethyl)-1,5-di(propan-2-yl)pyrrolidine (PubChem CID 58778967) has the molecular formula C12H24FNO2S and a molecular weight of 265.39 g/mol. Its IUPAC name is 3-fluoro-2-(methylsulfonylmethyl)-1,5-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-2-(methylsulfonylmethyl)-1,5-di(propan-2-yl)pyrrolidine
PubChem CID58778967
Molecular FormulaC12H24FNO2S
Molecular Weight265.39 g/mol
Exact Mass265.15
IUPAC Name3-fluoro-2-(methylsulfonylmethyl)-1,5-di(propan-2-yl)pyrrolidine
SMILESCC(C)C1CC(F)C(CS(C)(=O)=O)N1C(C)C
InChIInChI=1S/C12H24FNO2S/c1-8(2)11-6-10(13)12(7-17(5,15)16)14(11)9(3)4/h8-12H,6-7H2,1-5H3
InChIKeyZVAWCVJURITGOK-UHFFFAOYSA-N
XLogP1.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylsulfonylmethyl)-1,5-di(propan-2-yl)pyrrolidine?
The IUPAC name of 3-fluoro-2-(methylsulfonylmethyl)-1,5-di(propan-2-yl)pyrrolidine (CID 58778967) is 3-fluoro-2-(methylsulfonylmethyl)-1,5-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for 3-fluoro-2-(methylsulfonylmethyl)-1,5-di(propan-2-yl)pyrrolidine?
The canonical SMILES for 3-fluoro-2-(methylsulfonylmethyl)-1,5-di(propan-2-yl)pyrrolidine is CC(C)C1CC(F)C(CS(C)(=O)=O)N1C(C)C.
What is the InChIKey of 3-fluoro-2-(methylsulfonylmethyl)-1,5-di(propan-2-yl)pyrrolidine?
The InChIKey is ZVAWCVJURITGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO2S/c1-8(2)11-6-10(13)12(7-17(5,15)16)14(11)9(3)4/h8-12H,6-7H2,1-5H3.
What are the key properties of 3-fluoro-2-(methylsulfonylmethyl)-1,5-di(propan-2-yl)pyrrolidine?
3-fluoro-2-(methylsulfonylmethyl)-1,5-di(propan-2-yl)pyrrolidine has a molecular weight of 265.39 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylsulfonylmethyl)-1,5-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 58778967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).