3-fluoro-3-(methoxymethyl)-1-methylsulfanylpyrrolidine

C7H14FNOS — CID 153379940

IUPAC3-fluoro-3-(methoxymethyl)-1-methylsulfanylpyrrolidine
SMILESCOCC1(F)CCN(SC)C1
InChIInChI=1S/C7H14FNOS/c1-10-6-7(8)3-4-9(5-7)11-2/h3-6H2,1-2H3
InChIKeyZGONKVVDEBGQGZ-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.32
Rot. Bonds3

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

3-fluoro-3-(methoxymethyl)-1-methylsulfanylpyrrolidine (PubChem CID 153379940) has the molecular formula C7H14FNOS and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-fluoro-3-(methoxymethyl)-1-methylsulfanylpyrrolidine.

Molecular Properties

Compound Name3-fluoro-3-(methoxymethyl)-1-methylsulfanylpyrrolidine
PubChem CID153379940
Molecular FormulaC7H14FNOS
Molecular Weight179.26 g/mol
Exact Mass179.08
IUPAC Name3-fluoro-3-(methoxymethyl)-1-methylsulfanylpyrrolidine
SMILESCOCC1(F)CCN(SC)C1
InChIInChI=1S/C7H14FNOS/c1-10-6-7(8)3-4-9(5-7)11-2/h3-6H2,1-2H3
InChIKeyZGONKVVDEBGQGZ-UHFFFAOYSA-N
XLogP1.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Fluoro-3-(methoxymethyl)-1-methylpyrrolidine
CID 122549628
(3S)-3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine
CID 148811782
3-Fluoro-3-(methoxymethyl)-1-methylsulfonylpyrrolidine
CID 152893530
Ethane;3-fluoro-3-(methoxymethyl)-1-methylsulfanylpyrrolidine
CID 153379939
[3-(Methoxymethyl)pyrrolidin-1-yl]methanethiol
CID 163954363

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(methoxymethyl)-1-methylsulfanylpyrrolidine?
The IUPAC name of 3-fluoro-3-(methoxymethyl)-1-methylsulfanylpyrrolidine (CID 153379940) is 3-fluoro-3-(methoxymethyl)-1-methylsulfanylpyrrolidine.
What is the SMILES notation for 3-fluoro-3-(methoxymethyl)-1-methylsulfanylpyrrolidine?
The canonical SMILES for 3-fluoro-3-(methoxymethyl)-1-methylsulfanylpyrrolidine is COCC1(F)CCN(SC)C1.
What is the InChIKey of 3-fluoro-3-(methoxymethyl)-1-methylsulfanylpyrrolidine?
The InChIKey is ZGONKVVDEBGQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNOS/c1-10-6-7(8)3-4-9(5-7)11-2/h3-6H2,1-2H3.
What are the key properties of 3-fluoro-3-(methoxymethyl)-1-methylsulfanylpyrrolidine?
3-fluoro-3-(methoxymethyl)-1-methylsulfanylpyrrolidine has a molecular weight of 179.26 g/mol, XLogP of 1.32, 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-methylsulfanylpyrrolidine is sourced from PubChem (CID 153379940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).