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

C9H20FNOS — CID 153379939

IUPACethane;3-fluoro-3-(methoxymethyl)-1-methylsulfanylpyrrolidine
SMILESCC.COCC1(F)CCN(SC)C1
InChIInChI=1S/C7H14FNOS.C2H6/c1-10-6-7(8)3-4-9(5-7)11-2;1-2/h3-6H2,1-2H3;1-2H3
InChIKeyKICIALYFGNYNQL-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.35
Rot. Bonds3

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

ethane;3-fluoro-3-(methoxymethyl)-1-methylsulfanylpyrrolidine (PubChem CID 153379939) has the molecular formula C9H20FNOS and a molecular weight of 209.33 g/mol. Its IUPAC name is ethane;3-fluoro-3-(methoxymethyl)-1-methylsulfanylpyrrolidine.

Molecular Properties

Compound Nameethane;3-fluoro-3-(methoxymethyl)-1-methylsulfanylpyrrolidine
PubChem CID153379939
Molecular FormulaC9H20FNOS
Molecular Weight209.33 g/mol
Exact Mass209.12
IUPAC Nameethane;3-fluoro-3-(methoxymethyl)-1-methylsulfanylpyrrolidine
SMILESCC.COCC1(F)CCN(SC)C1
InChIInChI=1S/C7H14FNOS.C2H6/c1-10-6-7(8)3-4-9(5-7)11-2;1-2/h3-6H2,1-2H3;1-2H3
InChIKeyKICIALYFGNYNQL-UHFFFAOYSA-N
XLogP2.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.35
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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Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-3-(methoxymethyl)-1-methylsulfanylpyrrolidine?
The IUPAC name of ethane;3-fluoro-3-(methoxymethyl)-1-methylsulfanylpyrrolidine (CID 153379939) is ethane;3-fluoro-3-(methoxymethyl)-1-methylsulfanylpyrrolidine.
What is the SMILES notation for ethane;3-fluoro-3-(methoxymethyl)-1-methylsulfanylpyrrolidine?
The canonical SMILES for ethane;3-fluoro-3-(methoxymethyl)-1-methylsulfanylpyrrolidine is CC.COCC1(F)CCN(SC)C1.
What is the InChIKey of ethane;3-fluoro-3-(methoxymethyl)-1-methylsulfanylpyrrolidine?
The InChIKey is KICIALYFGNYNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNOS.C2H6/c1-10-6-7(8)3-4-9(5-7)11-2;1-2/h3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;3-fluoro-3-(methoxymethyl)-1-methylsulfanylpyrrolidine?
ethane;3-fluoro-3-(methoxymethyl)-1-methylsulfanylpyrrolidine has a molecular weight of 209.33 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-3-(methoxymethyl)-1-methylsulfanylpyrrolidine is sourced from PubChem (CID 153379939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).