[(2R)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol;ethane

C8H17F2NO3S — CID 176666256

IUPAC[(2R)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol;ethane
SMILESCC.O=S(=O)(C(F)F)N1CCC[C@@H]1CO
InChIInChI=1S/C6H11F2NO3S.C2H6/c7-6(8)13(11,12)9-3-1-2-5(9)4-10;1-2/h5-6,10H,1-4H2;1-2H3/t5-;/m1./s1
InChIKeySXXGEVNTAQNJSV-NUBCRITNSA-N
MW245.29 g/mol
LogP1.02
Rot. Bonds3

About [(2R)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol;ethane

[(2R)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol;ethane (PubChem CID 176666256) has the molecular formula C8H17F2NO3S and a molecular weight of 245.29 g/mol. Its IUPAC name is [(2R)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol;ethane.

Molecular Properties

Compound Name[(2R)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol;ethane
PubChem CID176666256
Molecular FormulaC8H17F2NO3S
Molecular Weight245.29 g/mol
Exact Mass245.09
IUPAC Name[(2R)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol;ethane
SMILESCC.O=S(=O)(C(F)F)N1CCC[C@@H]1CO
InChIInChI=1S/C6H11F2NO3S.C2H6/c7-6(8)13(11,12)9-3-1-2-5(9)4-10;1-2/h5-6,10H,1-4H2;1-2H3/t5-;/m1./s1
InChIKeySXXGEVNTAQNJSV-NUBCRITNSA-N
XLogP1.02
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-hydroxyethyl)-1-methylpyrrolidin-1-ium-2-yl]ethanol;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide
CID 167547301
[(2S,4S)-1-(difluoromethylsulfonyl)-4-propan-2-ylpyrrolidin-2-yl]methanol
CID 176666071
[(2S,4R)-1-(difluoromethylsulfonyl)-4-propan-2-ylpyrrolidin-2-yl]methanol
CID 176666262
(4,4-Dimethyl-1-methylsulfonylpyrrolidin-2-yl)methanol
CID 131037280
[1-(Difluoromethylsulfonyl)pyrrolidin-2-yl]methanol
CID 61408979
[1-(Trifluoromethylsulfonyl)pyrrolidin-2-yl]methanol
CID 61409066
[(2R)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol
CID 66261725
[(2R)-1-(trifluoromethylsulfonyl)pyrrolidin-2-yl]methanol
CID 66261990
[(2S)-1-(3-fluoropropylsulfonyl)pyrrolidin-2-yl]methanol
CID 75387077
[(2S)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol
CID 79028201
[(2S)-1-(trifluoromethylsulfonyl)pyrrolidin-2-yl]methanol
CID 79028416
[1-(4,4,4-Trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol
CID 83058643

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol;ethane?
The IUPAC name of [(2R)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol;ethane (CID 176666256) is [(2R)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol;ethane.
What is the SMILES notation for [(2R)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol;ethane?
The canonical SMILES for [(2R)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol;ethane is CC.O=S(=O)(C(F)F)N1CCC[C@@H]1CO.
What is the InChIKey of [(2R)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol;ethane?
The InChIKey is SXXGEVNTAQNJSV-NUBCRITNSA-N. The full InChI is InChI=1S/C6H11F2NO3S.C2H6/c7-6(8)13(11,12)9-3-1-2-5(9)4-10;1-2/h5-6,10H,1-4H2;1-2H3/t5-;/m1./s1.
What are the key properties of [(2R)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol;ethane?
[(2R)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol;ethane has a molecular weight of 245.29 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol;ethane is sourced from PubChem (CID 176666256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).