(4-fluoro-1-methylsulfonylpyrrolidin-2-yl)methanol

C6H12FNO3S — CID 127984273

IUPAC(4-fluoro-1-methylsulfonylpyrrolidin-2-yl)methanol
SMILESCS(=O)(=O)N1CC(F)CC1CO
InChIInChI=1S/C6H12FNO3S/c1-12(10,11)8-3-5(7)2-6(8)4-9/h5-6,9H,2-4H2,1H3
InChIKeyBNUKBAWBSVIAGW-UHFFFAOYSA-N
MW197.23 g/mol
LogP-0.65
Rot. Bonds2

About (4-fluoro-1-methylsulfonylpyrrolidin-2-yl)methanol

(4-fluoro-1-methylsulfonylpyrrolidin-2-yl)methanol (PubChem CID 127984273) has the molecular formula C6H12FNO3S and a molecular weight of 197.23 g/mol. Its IUPAC name is (4-fluoro-1-methylsulfonylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-1-methylsulfonylpyrrolidin-2-yl)methanol
PubChem CID127984273
Molecular FormulaC6H12FNO3S
Molecular Weight197.23 g/mol
Exact Mass197.05
IUPAC Name(4-fluoro-1-methylsulfonylpyrrolidin-2-yl)methanol
SMILESCS(=O)(=O)N1CC(F)CC1CO
InChIInChI=1S/C6H12FNO3S/c1-12(10,11)8-3-5(7)2-6(8)4-9/h5-6,9H,2-4H2,1H3
InChIKeyBNUKBAWBSVIAGW-UHFFFAOYSA-N
XLogP-0.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methyl methanesulfonate
CID 87237910
(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidine-3-sulfonyl fluoride
CID 176257926
[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
[(2R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol
CID 83059715
[(2S)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol
CID 83059716

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1-methylsulfonylpyrrolidin-2-yl)methanol?
The IUPAC name of (4-fluoro-1-methylsulfonylpyrrolidin-2-yl)methanol (CID 127984273) is (4-fluoro-1-methylsulfonylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (4-fluoro-1-methylsulfonylpyrrolidin-2-yl)methanol?
The canonical SMILES for (4-fluoro-1-methylsulfonylpyrrolidin-2-yl)methanol is CS(=O)(=O)N1CC(F)CC1CO.
What is the InChIKey of (4-fluoro-1-methylsulfonylpyrrolidin-2-yl)methanol?
The InChIKey is BNUKBAWBSVIAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO3S/c1-12(10,11)8-3-5(7)2-6(8)4-9/h5-6,9H,2-4H2,1H3.
What are the key properties of (4-fluoro-1-methylsulfonylpyrrolidin-2-yl)methanol?
(4-fluoro-1-methylsulfonylpyrrolidin-2-yl)methanol has a molecular weight of 197.23 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1-methylsulfonylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 127984273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).