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

C7H12F3NO3S — CID 114799314

IUPAC2-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]ethanol
SMILESO=S(=O)(N1CCC(CCO)C1)C(F)(F)F
InChIInChI=1S/C7H12F3NO3S/c8-7(9,10)15(13,14)11-3-1-6(5-11)2-4-12/h6,12H,1-5H2
InChIKeyZZKORPYHPFYRNV-UHFFFAOYSA-N
MW247.24 g/mol
LogP0.54
Rot. Bonds3

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

2-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]ethanol (PubChem CID 114799314) has the molecular formula C7H12F3NO3S and a molecular weight of 247.24 g/mol. Its IUPAC name is 2-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]ethanol
PubChem CID114799314
Molecular FormulaC7H12F3NO3S
Molecular Weight247.24 g/mol
Exact Mass247.05
IUPAC Name2-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]ethanol
SMILESO=S(=O)(N1CCC(CCO)C1)C(F)(F)F
InChIInChI=1S/C7H12F3NO3S/c8-7(9,10)15(13,14)11-3-1-6(5-11)2-4-12/h6,12H,1-5H2
InChIKeyZZKORPYHPFYRNV-UHFFFAOYSA-N
XLogP0.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 50.54
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
3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 114809896
2-[1-(Difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 115744903
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]ethanol (CID 114799314) is 2-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]ethanol is O=S(=O)(N1CCC(CCO)C1)C(F)(F)F.
What is the InChIKey of 2-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]ethanol?
The InChIKey is ZZKORPYHPFYRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3S/c8-7(9,10)15(13,14)11-3-1-6(5-11)2-4-12/h6,12H,1-5H2.
What are the key properties of 2-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]ethanol?
2-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]ethanol has a molecular weight of 247.24 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114799314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).