(3-fluoro-1-methylsulfonylpyrrolidin-3-yl)methanol

C6H12FNO3S — CID 131106940

IUPAC(3-fluoro-1-methylsulfonylpyrrolidin-3-yl)methanol
SMILESCS(=O)(=O)N1CCC(F)(CO)C1
InChIInChI=1S/C6H12FNO3S/c1-12(10,11)8-3-2-6(7,4-8)5-9/h9H,2-5H2,1H3
InChIKeyBLHJCSMSEGITKY-UHFFFAOYSA-N
MW197.23 g/mol
LogP-0.65
Rot. Bonds2

About (3-fluoro-1-methylsulfonylpyrrolidin-3-yl)methanol

(3-fluoro-1-methylsulfonylpyrrolidin-3-yl)methanol (PubChem CID 131106940) has the molecular formula C6H12FNO3S and a molecular weight of 197.23 g/mol. Its IUPAC name is (3-fluoro-1-methylsulfonylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-1-methylsulfonylpyrrolidin-3-yl)methanol
PubChem CID131106940
Molecular FormulaC6H12FNO3S
Molecular Weight197.23 g/mol
Exact Mass197.05
IUPAC Name(3-fluoro-1-methylsulfonylpyrrolidin-3-yl)methanol
SMILESCS(=O)(=O)N1CCC(F)(CO)C1
InChIInChI=1S/C6H12FNO3S/c1-12(10,11)8-3-2-6(7,4-8)5-9/h9H,2-5H2,1H3
InChIKeyBLHJCSMSEGITKY-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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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-1-methylsulfonylpyrrolidin-3-yl)methanol?
The IUPAC name of (3-fluoro-1-methylsulfonylpyrrolidin-3-yl)methanol (CID 131106940) is (3-fluoro-1-methylsulfonylpyrrolidin-3-yl)methanol.
What is the SMILES notation for (3-fluoro-1-methylsulfonylpyrrolidin-3-yl)methanol?
The canonical SMILES for (3-fluoro-1-methylsulfonylpyrrolidin-3-yl)methanol is CS(=O)(=O)N1CCC(F)(CO)C1.
What is the InChIKey of (3-fluoro-1-methylsulfonylpyrrolidin-3-yl)methanol?
The InChIKey is BLHJCSMSEGITKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO3S/c1-12(10,11)8-3-2-6(7,4-8)5-9/h9H,2-5H2,1H3.
What are the key properties of (3-fluoro-1-methylsulfonylpyrrolidin-3-yl)methanol?
(3-fluoro-1-methylsulfonylpyrrolidin-3-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 (3-fluoro-1-methylsulfonylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 131106940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).