1-(difluoromethylsulfonyl)-2-methylpyrrolidine

C6H11F2NO2S — CID 130617034

IUPAC1-(difluoromethylsulfonyl)-2-methylpyrrolidine
SMILESCC1CCCN1S(=O)(=O)C(F)F
InChIInChI=1S/C6H11F2NO2S/c1-5-3-2-4-9(5)12(10,11)6(7)8/h5-6H,2-4H2,1H3
InChIKeyNILUHDUKBOYXCY-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.02
Rot. Bonds2

About 1-(difluoromethylsulfonyl)-2-methylpyrrolidine

1-(difluoromethylsulfonyl)-2-methylpyrrolidine (PubChem CID 130617034) has the molecular formula C6H11F2NO2S and a molecular weight of 199.22 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-2-methylpyrrolidine
PubChem CID130617034
Molecular FormulaC6H11F2NO2S
Molecular Weight199.22 g/mol
Exact Mass199.05
IUPAC Name1-(difluoromethylsulfonyl)-2-methylpyrrolidine
SMILESCC1CCCN1S(=O)(=O)C(F)F
InChIInChI=1S/C6H11F2NO2S/c1-5-3-2-4-9(5)12(10,11)6(7)8/h5-6H,2-4H2,1H3
InChIKeyNILUHDUKBOYXCY-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(Trifluoromethyl)sulfonyl]pyrrolidine
CID 53837543
3-Fluoro-1-methylsulfonylpyrrolidine
CID 124085433
N-methanesulfonyl-2-methylpyrrolidine
CID 13430731
(S)-2-methyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276438
(S)-2-propyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276439
3,3-Difluoro-1-methylsulfonylpyrrolidine
CID 57578700
1-(Difluoromethylsulfonyl)pyrrolidine
CID 58435998
Fluoro difluoro-(2-methylpyrrolidin-1-yl)methanesulfonate
CID 87457547
1-Methylsulfonyl-2-(trifluoromethyl)pyrrolidine
CID 117718438
(3R)-3-fluoro-1-methylsulfonylpyrrolidine
CID 124085373
(3S)-3-fluoro-1-methylsulfonylpyrrolidine
CID 124085438
1-Methylsulfonyl-2-(2,2,2-trifluoroethyl)pyrrolidine
CID 129248399

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-2-methylpyrrolidine?
The IUPAC name of 1-(difluoromethylsulfonyl)-2-methylpyrrolidine (CID 130617034) is 1-(difluoromethylsulfonyl)-2-methylpyrrolidine.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-2-methylpyrrolidine?
The canonical SMILES for 1-(difluoromethylsulfonyl)-2-methylpyrrolidine is CC1CCCN1S(=O)(=O)C(F)F.
What is the InChIKey of 1-(difluoromethylsulfonyl)-2-methylpyrrolidine?
The InChIKey is NILUHDUKBOYXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2S/c1-5-3-2-4-9(5)12(10,11)6(7)8/h5-6H,2-4H2,1H3.
What are the key properties of 1-(difluoromethylsulfonyl)-2-methylpyrrolidine?
1-(difluoromethylsulfonyl)-2-methylpyrrolidine has a molecular weight of 199.22 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-2-methylpyrrolidine is sourced from PubChem (CID 130617034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).