2-[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol

C7H13F2NO3S — CID 115744903

IUPAC2-[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol
SMILESO=S(=O)(C(F)F)N1CCC(CCO)C1
InChIInChI=1S/C7H13F2NO3S/c8-7(9)14(12,13)10-3-1-6(5-10)2-4-11/h6-7,11H,1-5H2
InChIKeyZMNKDGUWJGCDOA-UHFFFAOYSA-N
MW229.25 g/mol
LogP0.24
Rot. Bonds4

About 2-[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol

2-[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol (PubChem CID 115744903) has the molecular formula C7H13F2NO3S and a molecular weight of 229.25 g/mol. Its IUPAC name is 2-[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol
PubChem CID115744903
Molecular FormulaC7H13F2NO3S
Molecular Weight229.25 g/mol
Exact Mass229.06
IUPAC Name2-[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol
SMILESO=S(=O)(C(F)F)N1CCC(CCO)C1
InChIInChI=1S/C7H13F2NO3S/c8-7(9)14(12,13)10-3-1-6(5-10)2-4-11/h6-7,11H,1-5H2
InChIKeyZMNKDGUWJGCDOA-UHFFFAOYSA-N
XLogP0.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(Difluoromethylsulfonyl)pyrrolidin-3-yl]methanol
CID 62370819
[1-(Trifluoromethylsulfonyl)pyrrolidin-3-yl]methanol
CID 62372919
[3-Methyl-1-(trifluoromethylsulfonyl)pyrrolidin-2-yl]methanol
CID 102786088
[1-(Difluoromethylsulfonyl)-3-methylpyrrolidin-2-yl]methanol
CID 102786537
1-[1-(Trifluoromethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627552
1-[1-(Difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627598
2-[1-(Trifluoromethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 114799314
2-[1-(4,4,4-Trifluorobutylsulfonyl)pyrrolidin-3-yl]ethanol
CID 115967735
[(3R)-1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanol
CID 130650545
2-(1-Methanesulfonylpyrrolidin-3-yl)ethan-1-ol
CID 77059138
2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanol
CID 99716099
2-[(3S)-1-methylsulfonylpyrrolidin-3-yl]ethanol
CID 99716100

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol (CID 115744903) is 2-[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol is O=S(=O)(C(F)F)N1CCC(CCO)C1.
What is the InChIKey of 2-[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol?
The InChIKey is ZMNKDGUWJGCDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO3S/c8-7(9)14(12,13)10-3-1-6(5-10)2-4-11/h6-7,11H,1-5H2.
What are the key properties of 2-[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol?
2-[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol has a molecular weight of 229.25 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115744903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).