1-(difluoromethylsulfonyl)pyrrolidine;ethane

C7H15F2NO2S — CID 176666297

IUPAC1-(difluoromethylsulfonyl)pyrrolidine;ethane
SMILESCC.O=S(=O)(C(F)F)N1CCCC1
InChIInChI=1S/C5H9F2NO2S.C2H6/c6-5(7)11(9,10)8-3-1-2-4-8;1-2/h5H,1-4H2;1-2H3
InChIKeyVHLCMQBROLMHQE-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.66
Rot. Bonds2

About 1-(difluoromethylsulfonyl)pyrrolidine;ethane

1-(difluoromethylsulfonyl)pyrrolidine;ethane (PubChem CID 176666297) has the molecular formula C7H15F2NO2S and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)pyrrolidine;ethane.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)pyrrolidine;ethane
PubChem CID176666297
Molecular FormulaC7H15F2NO2S
Molecular Weight215.26 g/mol
Exact Mass215.08
IUPAC Name1-(difluoromethylsulfonyl)pyrrolidine;ethane
SMILESCC.O=S(=O)(C(F)F)N1CCCC1
InChIInChI=1S/C5H9F2NO2S.C2H6/c6-5(7)11(9,10)8-3-1-2-4-8;1-2/h5H,1-4H2;1-2H3
InChIKeyVHLCMQBROLMHQE-UHFFFAOYSA-N
XLogP1.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-1-propylpyrrolidinium trifluoromethanesulfonate
CID 60196396
1-Butyl-1-methylpyrrolidinium triflate
CID 12195864
1-Ethyl-1-methylpyrrolidinium trifluoromethanesulfonate
CID 60196393
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
1-Methanesulfonylpyrrolidine
CID 3812935
(S)-3-methyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276436
(S)-2-methyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276438
(R)-3-methyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276441
(3R,4R)-3,4-dimethyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276442

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)pyrrolidine;ethane?
The IUPAC name of 1-(difluoromethylsulfonyl)pyrrolidine;ethane (CID 176666297) is 1-(difluoromethylsulfonyl)pyrrolidine;ethane.
What is the SMILES notation for 1-(difluoromethylsulfonyl)pyrrolidine;ethane?
The canonical SMILES for 1-(difluoromethylsulfonyl)pyrrolidine;ethane is CC.O=S(=O)(C(F)F)N1CCCC1.
What is the InChIKey of 1-(difluoromethylsulfonyl)pyrrolidine;ethane?
The InChIKey is VHLCMQBROLMHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2S.C2H6/c6-5(7)11(9,10)8-3-1-2-4-8;1-2/h5H,1-4H2;1-2H3.
What are the key properties of 1-(difluoromethylsulfonyl)pyrrolidine;ethane?
1-(difluoromethylsulfonyl)pyrrolidine;ethane has a molecular weight of 215.26 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)pyrrolidine;ethane is sourced from PubChem (CID 176666297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).