4-fluoro-1-methyl-2-methylsulfanylpyrrolidine

C6H12FNS — CID 123744060

IUPAC4-fluoro-1-methyl-2-methylsulfanylpyrrolidine
SMILESCSC1CC(F)CN1C
InChIInChI=1S/C6H12FNS/c1-8-4-5(7)3-6(8)9-2/h5-6H,3-4H2,1-2H3
InChIKeyIRDAPYFOUIQELU-UHFFFAOYSA-N
MW149.23 g/mol
LogP1.35
Rot. Bonds1

About 4-fluoro-1-methyl-2-methylsulfanylpyrrolidine

4-fluoro-1-methyl-2-methylsulfanylpyrrolidine (PubChem CID 123744060) has the molecular formula C6H12FNS and a molecular weight of 149.23 g/mol. Its IUPAC name is 4-fluoro-1-methyl-2-methylsulfanylpyrrolidine.

Molecular Properties

Compound Name4-fluoro-1-methyl-2-methylsulfanylpyrrolidine
PubChem CID123744060
Molecular FormulaC6H12FNS
Molecular Weight149.23 g/mol
Exact Mass149.07
IUPAC Name4-fluoro-1-methyl-2-methylsulfanylpyrrolidine
SMILESCSC1CC(F)CN1C
InChIInChI=1S/C6H12FNS/c1-8-4-5(7)3-6(8)9-2/h5-6H,3-4H2,1-2H3
InChIKeyIRDAPYFOUIQELU-UHFFFAOYSA-N
XLogP1.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.23
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-2-methylsulfanylpyrrolidine?
The IUPAC name of 4-fluoro-1-methyl-2-methylsulfanylpyrrolidine (CID 123744060) is 4-fluoro-1-methyl-2-methylsulfanylpyrrolidine.
What is the SMILES notation for 4-fluoro-1-methyl-2-methylsulfanylpyrrolidine?
The canonical SMILES for 4-fluoro-1-methyl-2-methylsulfanylpyrrolidine is CSC1CC(F)CN1C.
What is the InChIKey of 4-fluoro-1-methyl-2-methylsulfanylpyrrolidine?
The InChIKey is IRDAPYFOUIQELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNS/c1-8-4-5(7)3-6(8)9-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-fluoro-1-methyl-2-methylsulfanylpyrrolidine?
4-fluoro-1-methyl-2-methylsulfanylpyrrolidine has a molecular weight of 149.23 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-2-methylsulfanylpyrrolidine is sourced from PubChem (CID 123744060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).