2-pyrrolidin-2-yl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine

C12H21F3N2O2S — CID 83058383

IUPAC2-pyrrolidin-2-yl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine
SMILESO=S(=O)(CCCC(F)(F)F)N1CCCC1C1CCCN1
InChIInChI=1S/C12H21F3N2O2S/c13-12(14,15)6-3-9-20(18,19)17-8-2-5-11(17)10-4-1-7-16-10/h10-11,16H,1-9H2
InChIKeyUVHGWTVYOQMYQH-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.88
Rot. Bonds5

About 2-pyrrolidin-2-yl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine

2-pyrrolidin-2-yl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine (PubChem CID 83058383) has the molecular formula C12H21F3N2O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine
PubChem CID83058383
Molecular FormulaC12H21F3N2O2S
Molecular Weight314.37 g/mol
Exact Mass314.13
IUPAC Name2-pyrrolidin-2-yl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine
SMILESO=S(=O)(CCCC(F)(F)F)N1CCCC1C1CCCN1
InChIInChI=1S/C12H21F3N2O2S/c13-12(14,15)6-3-9-20(18,19)17-8-2-5-11(17)10-4-1-7-16-10/h10-11,16H,1-9H2
InChIKeyUVHGWTVYOQMYQH-UHFFFAOYSA-N
XLogP1.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine?
The IUPAC name of 2-pyrrolidin-2-yl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine (CID 83058383) is 2-pyrrolidin-2-yl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine.
What is the SMILES notation for 2-pyrrolidin-2-yl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine?
The canonical SMILES for 2-pyrrolidin-2-yl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine is O=S(=O)(CCCC(F)(F)F)N1CCCC1C1CCCN1.
What is the InChIKey of 2-pyrrolidin-2-yl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine?
The InChIKey is UVHGWTVYOQMYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2S/c13-12(14,15)6-3-9-20(18,19)17-8-2-5-11(17)10-4-1-7-16-10/h10-11,16H,1-9H2.
What are the key properties of 2-pyrrolidin-2-yl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine?
2-pyrrolidin-2-yl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine has a molecular weight of 314.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine is sourced from PubChem (CID 83058383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).