3-fluoro-1-methylsulfinylpyrrolidine

C5H10FNOS — CID 167493477

IUPAC3-fluoro-1-methylsulfinylpyrrolidine
SMILESCS(=O)N1CCC(F)C1
InChIInChI=1S/C5H10FNOS/c1-9(8)7-3-2-5(6)4-7/h5H,2-4H2,1H3
InChIKeyOAZHFJPIHBSBRF-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.32
Rot. Bonds1

About 3-fluoro-1-methylsulfinylpyrrolidine

3-fluoro-1-methylsulfinylpyrrolidine (PubChem CID 167493477) has the molecular formula C5H10FNOS and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-fluoro-1-methylsulfinylpyrrolidine.

Molecular Properties

Compound Name3-fluoro-1-methylsulfinylpyrrolidine
PubChem CID167493477
Molecular FormulaC5H10FNOS
Molecular Weight151.21 g/mol
Exact Mass151.05
IUPAC Name3-fluoro-1-methylsulfinylpyrrolidine
SMILESCS(=O)N1CCC(F)C1
InChIInChI=1S/C5H10FNOS/c1-9(8)7-3-2-5(6)4-7/h5H,2-4H2,1H3
InChIKeyOAZHFJPIHBSBRF-UHFFFAOYSA-N
XLogP0.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methylsulfinylpyrrolidine?
The IUPAC name of 3-fluoro-1-methylsulfinylpyrrolidine (CID 167493477) is 3-fluoro-1-methylsulfinylpyrrolidine.
What is the SMILES notation for 3-fluoro-1-methylsulfinylpyrrolidine?
The canonical SMILES for 3-fluoro-1-methylsulfinylpyrrolidine is CS(=O)N1CCC(F)C1.
What is the InChIKey of 3-fluoro-1-methylsulfinylpyrrolidine?
The InChIKey is OAZHFJPIHBSBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNOS/c1-9(8)7-3-2-5(6)4-7/h5H,2-4H2,1H3.
What are the key properties of 3-fluoro-1-methylsulfinylpyrrolidine?
3-fluoro-1-methylsulfinylpyrrolidine has a molecular weight of 151.21 g/mol, XLogP of 0.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methylsulfinylpyrrolidine is sourced from PubChem (CID 167493477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).