1-(difluoromethylsulfonyl)-3-methylpyrrolidin-3-ol

C6H11F2NO3S — CID 103871370

IUPAC1-(difluoromethylsulfonyl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C6H11F2NO3S/c1-6(10)2-3-9(4-6)13(11,12)5(7)8/h5,10H,2-4H2,1H3
InChIKeyJSPKTJXROUXRLQ-UHFFFAOYSA-N
MW215.22 g/mol
LogP-0.00
Rot. Bonds2

About 1-(difluoromethylsulfonyl)-3-methylpyrrolidin-3-ol

1-(difluoromethylsulfonyl)-3-methylpyrrolidin-3-ol (PubChem CID 103871370) has the molecular formula C6H11F2NO3S and a molecular weight of 215.22 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-3-methylpyrrolidin-3-ol
PubChem CID103871370
Molecular FormulaC6H11F2NO3S
Molecular Weight215.22 g/mol
Exact Mass215.04
IUPAC Name1-(difluoromethylsulfonyl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C6H11F2NO3S/c1-6(10)2-3-9(4-6)13(11,12)5(7)8/h5,10H,2-4H2,1H3
InChIKeyJSPKTJXROUXRLQ-UHFFFAOYSA-N
XLogP-0.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1,1-difluoro-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
CID 79386798
1-Methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 86769483
(3R)-1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 97217918
(3S)-1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 97217919
3-Methyl-1-(trifluoromethylsulfonyl)pyrrolidin-3-ol
CID 103357540
1-Tert-butylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112737857
3-Methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-ol
CID 113356087
1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide
CID 114759997
1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]methanesulfonamide
CID 114760085
3-Hydroxy-3-(trifluoromethyl)pyrrolidine-1-sulfonamide
CID 130161631
1-(Difluoromethylsulfonyl)-4-methylpyrrolidin-3-ol
CID 130694886
1-(Difluoromethylsulfonyl)-4,4-dimethylpyrrolidin-3-ol
CID 130921630

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(difluoromethylsulfonyl)-3-methylpyrrolidin-3-ol (CID 103871370) is 1-(difluoromethylsulfonyl)-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(difluoromethylsulfonyl)-3-methylpyrrolidin-3-ol is CC1(O)CCN(S(=O)(=O)C(F)F)C1.
What is the InChIKey of 1-(difluoromethylsulfonyl)-3-methylpyrrolidin-3-ol?
The InChIKey is JSPKTJXROUXRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO3S/c1-6(10)2-3-9(4-6)13(11,12)5(7)8/h5,10H,2-4H2,1H3.
What are the key properties of 1-(difluoromethylsulfonyl)-3-methylpyrrolidin-3-ol?
1-(difluoromethylsulfonyl)-3-methylpyrrolidin-3-ol has a molecular weight of 215.22 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103871370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).