3-fluoro-1,5-dimethyl-2-(methylsulfanylmethyl)pyrrolidine

C8H16FNS — CID 142151835

IUPAC3-fluoro-1,5-dimethyl-2-(methylsulfanylmethyl)pyrrolidine
SMILESCSCC1C(F)CC(C)N1C
InChIInChI=1S/C8H16FNS/c1-6-4-7(9)8(5-11-3)10(6)2/h6-8H,4-5H2,1-3H3
InChIKeyCDBRWFYOCJIKII-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.78
Rot. Bonds2

About 3-fluoro-1,5-dimethyl-2-(methylsulfanylmethyl)pyrrolidine

3-fluoro-1,5-dimethyl-2-(methylsulfanylmethyl)pyrrolidine (PubChem CID 142151835) has the molecular formula C8H16FNS and a molecular weight of 177.29 g/mol. Its IUPAC name is 3-fluoro-1,5-dimethyl-2-(methylsulfanylmethyl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-1,5-dimethyl-2-(methylsulfanylmethyl)pyrrolidine
PubChem CID142151835
Molecular FormulaC8H16FNS
Molecular Weight177.29 g/mol
Exact Mass177.10
IUPAC Name3-fluoro-1,5-dimethyl-2-(methylsulfanylmethyl)pyrrolidine
SMILESCSCC1C(F)CC(C)N1C
InChIInChI=1S/C8H16FNS/c1-6-4-7(9)8(5-11-3)10(6)2/h6-8H,4-5H2,1-3H3
InChIKeyCDBRWFYOCJIKII-UHFFFAOYSA-N
XLogP1.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1,5-dimethyl-2-(methylsulfanylmethyl)pyrrolidine?
The IUPAC name of 3-fluoro-1,5-dimethyl-2-(methylsulfanylmethyl)pyrrolidine (CID 142151835) is 3-fluoro-1,5-dimethyl-2-(methylsulfanylmethyl)pyrrolidine.
What is the SMILES notation for 3-fluoro-1,5-dimethyl-2-(methylsulfanylmethyl)pyrrolidine?
The canonical SMILES for 3-fluoro-1,5-dimethyl-2-(methylsulfanylmethyl)pyrrolidine is CSCC1C(F)CC(C)N1C.
What is the InChIKey of 3-fluoro-1,5-dimethyl-2-(methylsulfanylmethyl)pyrrolidine?
The InChIKey is CDBRWFYOCJIKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNS/c1-6-4-7(9)8(5-11-3)10(6)2/h6-8H,4-5H2,1-3H3.
What are the key properties of 3-fluoro-1,5-dimethyl-2-(methylsulfanylmethyl)pyrrolidine?
3-fluoro-1,5-dimethyl-2-(methylsulfanylmethyl)pyrrolidine has a molecular weight of 177.29 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1,5-dimethyl-2-(methylsulfanylmethyl)pyrrolidine is sourced from PubChem (CID 142151835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).