3-fluoro-1-(3-methylsulfanyloxypropyl)pyrrolidine

C8H16FNOS — CID 137470604

IUPAC3-fluoro-1-(3-methylsulfanyloxypropyl)pyrrolidine
SMILESCSOCCCN1CCC(F)C1
InChIInChI=1S/C8H16FNOS/c1-12-11-6-2-4-10-5-3-8(9)7-10/h8H,2-7H2,1H3
InChIKeyDIOBJFRDMYKROU-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.71
Rot. Bonds5

About 3-fluoro-1-(3-methylsulfanyloxypropyl)pyrrolidine

3-fluoro-1-(3-methylsulfanyloxypropyl)pyrrolidine (PubChem CID 137470604) has the molecular formula C8H16FNOS and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-fluoro-1-(3-methylsulfanyloxypropyl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-1-(3-methylsulfanyloxypropyl)pyrrolidine
PubChem CID137470604
Molecular FormulaC8H16FNOS
Molecular Weight193.29 g/mol
Exact Mass193.09
IUPAC Name3-fluoro-1-(3-methylsulfanyloxypropyl)pyrrolidine
SMILESCSOCCCN1CCC(F)C1
InChIInChI=1S/C8H16FNOS/c1-12-11-6-2-4-10-5-3-8(9)7-10/h8H,2-7H2,1H3
InChIKeyDIOBJFRDMYKROU-UHFFFAOYSA-N
XLogP1.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(3-methylsulfanyloxypropyl)pyrrolidine?
The IUPAC name of 3-fluoro-1-(3-methylsulfanyloxypropyl)pyrrolidine (CID 137470604) is 3-fluoro-1-(3-methylsulfanyloxypropyl)pyrrolidine.
What is the SMILES notation for 3-fluoro-1-(3-methylsulfanyloxypropyl)pyrrolidine?
The canonical SMILES for 3-fluoro-1-(3-methylsulfanyloxypropyl)pyrrolidine is CSOCCCN1CCC(F)C1.
What is the InChIKey of 3-fluoro-1-(3-methylsulfanyloxypropyl)pyrrolidine?
The InChIKey is DIOBJFRDMYKROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNOS/c1-12-11-6-2-4-10-5-3-8(9)7-10/h8H,2-7H2,1H3.
What are the key properties of 3-fluoro-1-(3-methylsulfanyloxypropyl)pyrrolidine?
3-fluoro-1-(3-methylsulfanyloxypropyl)pyrrolidine has a molecular weight of 193.29 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(3-methylsulfanyloxypropyl)pyrrolidine is sourced from PubChem (CID 137470604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).