3-fluoro-3-(methoxymethyl)-1-methylsulfonylpyrrolidine

C7H14FNO3S — CID 152893530

IUPAC3-fluoro-3-(methoxymethyl)-1-methylsulfonylpyrrolidine
SMILESCOCC1(F)CCN(S(C)(=O)=O)C1
InChIInChI=1S/C7H14FNO3S/c1-12-6-7(8)3-4-9(5-7)13(2,10)11/h3-6H2,1-2H3
InChIKeyUDXGYFMWAXNAEM-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.01
Rot. Bonds3

About 3-fluoro-3-(methoxymethyl)-1-methylsulfonylpyrrolidine

3-fluoro-3-(methoxymethyl)-1-methylsulfonylpyrrolidine (PubChem CID 152893530) has the molecular formula C7H14FNO3S and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-fluoro-3-(methoxymethyl)-1-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name3-fluoro-3-(methoxymethyl)-1-methylsulfonylpyrrolidine
PubChem CID152893530
Molecular FormulaC7H14FNO3S
Molecular Weight211.26 g/mol
Exact Mass211.07
IUPAC Name3-fluoro-3-(methoxymethyl)-1-methylsulfonylpyrrolidine
SMILESCOCC1(F)CCN(S(C)(=O)=O)C1
InChIInChI=1S/C7H14FNO3S/c1-12-6-7(8)3-4-9(5-7)13(2,10)11/h3-6H2,1-2H3
InChIKeyUDXGYFMWAXNAEM-UHFFFAOYSA-N
XLogP0.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Fluoro-1-(methylsulfonyl)pyrrolidin-3-yl)methanol
CID 131106940
3-Fluoro-1-methylsulfonyl-3-(propan-2-yloxymethyl)pyrrolidine
CID 155484875
3-Fluoro-3-(methoxymethyl)-1-methylsulfanylpyrrolidine
CID 153379940
(1-Methylpyrrolidin-3-yl)methyl methanesulfonate
CID 17998776
[(3S)-1-methylpyrrolidin-3-yl]methyl methanesulfonate
CID 57754808
3-(Methoxymethyl)-1-methylsulfonylpyrrolidine
CID 64585555
[(3S)-1-iodopyrrolidin-3-yl]methyl methanesulfonate
CID 122667561
3-(Ethoxymethyl)-1-methylsulfonylpyrrolidine
CID 127402950
1-((Chloromethyl)sulfonyl)-3-(methoxymethyl)pyrrolidine
CID 64597453
1-(Bromomethylsulfonyl)-3-(methoxymethyl)pyrrolidine
CID 83085768
O-[(1-methylsulfonylpyrrolidin-3-yl)methyl]hydroxylamine
CID 84114133
[(3R)-1-methylpyrrolidin-3-yl]methyl methanesulfonate
CID 92218206

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(methoxymethyl)-1-methylsulfonylpyrrolidine?
The IUPAC name of 3-fluoro-3-(methoxymethyl)-1-methylsulfonylpyrrolidine (CID 152893530) is 3-fluoro-3-(methoxymethyl)-1-methylsulfonylpyrrolidine.
What is the SMILES notation for 3-fluoro-3-(methoxymethyl)-1-methylsulfonylpyrrolidine?
The canonical SMILES for 3-fluoro-3-(methoxymethyl)-1-methylsulfonylpyrrolidine is COCC1(F)CCN(S(C)(=O)=O)C1.
What is the InChIKey of 3-fluoro-3-(methoxymethyl)-1-methylsulfonylpyrrolidine?
The InChIKey is UDXGYFMWAXNAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO3S/c1-12-6-7(8)3-4-9(5-7)13(2,10)11/h3-6H2,1-2H3.
What are the key properties of 3-fluoro-3-(methoxymethyl)-1-methylsulfonylpyrrolidine?
3-fluoro-3-(methoxymethyl)-1-methylsulfonylpyrrolidine has a molecular weight of 211.26 g/mol, XLogP of 0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(methoxymethyl)-1-methylsulfonylpyrrolidine is sourced from PubChem (CID 152893530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).