1-(difluoromethylsulfonyl)-3-methylpyrrolidine

C6H11F2NO2S — CID 130739893

IUPAC1-(difluoromethylsulfonyl)-3-methylpyrrolidine
SMILESCC1CCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C6H11F2NO2S/c1-5-2-3-9(4-5)12(10,11)6(7)8/h5-6H,2-4H2,1H3
InChIKeyNGSJPIMROXFVIA-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.88
Rot. Bonds2

About 1-(difluoromethylsulfonyl)-3-methylpyrrolidine

1-(difluoromethylsulfonyl)-3-methylpyrrolidine (PubChem CID 130739893) has the molecular formula C6H11F2NO2S and a molecular weight of 199.22 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-3-methylpyrrolidine.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-3-methylpyrrolidine
PubChem CID130739893
Molecular FormulaC6H11F2NO2S
Molecular Weight199.22 g/mol
Exact Mass199.05
IUPAC Name1-(difluoromethylsulfonyl)-3-methylpyrrolidine
SMILESCC1CCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C6H11F2NO2S/c1-5-2-3-9(4-5)12(10,11)6(7)8/h5-6H,2-4H2,1H3
InChIKeyNGSJPIMROXFVIA-UHFFFAOYSA-N
XLogP0.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dimethylpyrrolidinium trifluoromethane sulfonate
CID 22020309
1-[(Trifluoromethyl)sulfonyl]pyrrolidine
CID 53837543
3-Methyl-1-(trifluoromethyl)sulfonyl-pyrrolidine
CID 68090720
3-Fluoro-1-methylsulfonylpyrrolidine
CID 124085433
(S)-3-methyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276436
(S)-3-ethyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276437
(R)-3-methyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276441
(3R,4R)-3,4-dimethyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276442
3,3-Difluoro-1-methylsulfonylpyrrolidine
CID 57578700
1-(1,1-Difluoroethylsulfonyl)pyrrolidine
CID 58122743
1-(Difluoromethylsulfonyl)pyrrolidine
CID 58435998
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 60766791

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-3-methylpyrrolidine?
The IUPAC name of 1-(difluoromethylsulfonyl)-3-methylpyrrolidine (CID 130739893) is 1-(difluoromethylsulfonyl)-3-methylpyrrolidine.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-3-methylpyrrolidine?
The canonical SMILES for 1-(difluoromethylsulfonyl)-3-methylpyrrolidine is CC1CCN(S(=O)(=O)C(F)F)C1.
What is the InChIKey of 1-(difluoromethylsulfonyl)-3-methylpyrrolidine?
The InChIKey is NGSJPIMROXFVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2S/c1-5-2-3-9(4-5)12(10,11)6(7)8/h5-6H,2-4H2,1H3.
What are the key properties of 1-(difluoromethylsulfonyl)-3-methylpyrrolidine?
1-(difluoromethylsulfonyl)-3-methylpyrrolidine has a molecular weight of 199.22 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-3-methylpyrrolidine is sourced from PubChem (CID 130739893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).