4,4-difluoro-1-methyl-2-methylsulfanylpyrrolidine

C6H11F2NS — CID 159503107

IUPAC4,4-difluoro-1-methyl-2-methylsulfanylpyrrolidine
SMILESCSC1CC(F)(F)CN1C
InChIInChI=1S/C6H11F2NS/c1-9-4-6(7,8)3-5(9)10-2/h5H,3-4H2,1-2H3
InChIKeyLZQHLMRBSSQIOQ-UHFFFAOYSA-N
MW167.22 g/mol
LogP1.65
Rot. Bonds1

About 4,4-difluoro-1-methyl-2-methylsulfanylpyrrolidine

4,4-difluoro-1-methyl-2-methylsulfanylpyrrolidine (PubChem CID 159503107) has the molecular formula C6H11F2NS and a molecular weight of 167.22 g/mol. Its IUPAC name is 4,4-difluoro-1-methyl-2-methylsulfanylpyrrolidine.

Molecular Properties

Compound Name4,4-difluoro-1-methyl-2-methylsulfanylpyrrolidine
PubChem CID159503107
Molecular FormulaC6H11F2NS
Molecular Weight167.22 g/mol
Exact Mass167.06
IUPAC Name4,4-difluoro-1-methyl-2-methylsulfanylpyrrolidine
SMILESCSC1CC(F)(F)CN1C
InChIInChI=1S/C6H11F2NS/c1-9-4-6(7,8)3-5(9)10-2/h5H,3-4H2,1-2H3
InChIKeyLZQHLMRBSSQIOQ-UHFFFAOYSA-N
XLogP1.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-methyl-2-methylsulfanylpyrrolidine?
The IUPAC name of 4,4-difluoro-1-methyl-2-methylsulfanylpyrrolidine (CID 159503107) is 4,4-difluoro-1-methyl-2-methylsulfanylpyrrolidine.
What is the SMILES notation for 4,4-difluoro-1-methyl-2-methylsulfanylpyrrolidine?
The canonical SMILES for 4,4-difluoro-1-methyl-2-methylsulfanylpyrrolidine is CSC1CC(F)(F)CN1C.
What is the InChIKey of 4,4-difluoro-1-methyl-2-methylsulfanylpyrrolidine?
The InChIKey is LZQHLMRBSSQIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NS/c1-9-4-6(7,8)3-5(9)10-2/h5H,3-4H2,1-2H3.
What are the key properties of 4,4-difluoro-1-methyl-2-methylsulfanylpyrrolidine?
4,4-difluoro-1-methyl-2-methylsulfanylpyrrolidine has a molecular weight of 167.22 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-methyl-2-methylsulfanylpyrrolidine is sourced from PubChem (CID 159503107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).