[3-methyl-1-(trifluoromethylsulfonyl)pyrrolidin-2-yl]methanol

C7H12F3NO3S — CID 102786088

IUPAC[3-methyl-1-(trifluoromethylsulfonyl)pyrrolidin-2-yl]methanol
SMILESCC1CCN(S(=O)(=O)C(F)(F)F)C1CO
InChIInChI=1S/C7H12F3NO3S/c1-5-2-3-11(6(5)4-12)15(13,14)7(8,9)10/h5-6,12H,2-4H2,1H3
InChIKeyHLPQRGIDMZJOLF-UHFFFAOYSA-N
MW247.24 g/mol
LogP0.54
Rot. Bonds2

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

[3-methyl-1-(trifluoromethylsulfonyl)pyrrolidin-2-yl]methanol (PubChem CID 102786088) has the molecular formula C7H12F3NO3S and a molecular weight of 247.24 g/mol. Its IUPAC name is [3-methyl-1-(trifluoromethylsulfonyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-(trifluoromethylsulfonyl)pyrrolidin-2-yl]methanol
PubChem CID102786088
Molecular FormulaC7H12F3NO3S
Molecular Weight247.24 g/mol
Exact Mass247.05
IUPAC Name[3-methyl-1-(trifluoromethylsulfonyl)pyrrolidin-2-yl]methanol
SMILESCC1CCN(S(=O)(=O)C(F)(F)F)C1CO
InChIInChI=1S/C7H12F3NO3S/c1-5-2-3-11(6(5)4-12)15(13,14)7(8,9)10/h5-6,12H,2-4H2,1H3
InChIKeyHLPQRGIDMZJOLF-UHFFFAOYSA-N
XLogP0.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

[(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
[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-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol
CID 79028201
[(2S)-1-(trifluoromethylsulfonyl)pyrrolidin-2-yl]methanol
CID 79028416
[3-Methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol
CID 102786382
[1-(Difluoromethylsulfonyl)-3-methylpyrrolidin-2-yl]methanol
CID 102786537
2-(hydroxymethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 113736414
2-[1-(Trifluoromethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 114799314

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(trifluoromethylsulfonyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-(trifluoromethylsulfonyl)pyrrolidin-2-yl]methanol (CID 102786088) is [3-methyl-1-(trifluoromethylsulfonyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-(trifluoromethylsulfonyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-(trifluoromethylsulfonyl)pyrrolidin-2-yl]methanol is CC1CCN(S(=O)(=O)C(F)(F)F)C1CO.
What is the InChIKey of [3-methyl-1-(trifluoromethylsulfonyl)pyrrolidin-2-yl]methanol?
The InChIKey is HLPQRGIDMZJOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3S/c1-5-2-3-11(6(5)4-12)15(13,14)7(8,9)10/h5-6,12H,2-4H2,1H3.
What are the key properties of [3-methyl-1-(trifluoromethylsulfonyl)pyrrolidin-2-yl]methanol?
[3-methyl-1-(trifluoromethylsulfonyl)pyrrolidin-2-yl]methanol has a molecular weight of 247.24 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(trifluoromethylsulfonyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102786088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).