3-fluoro-1-methyl-3-(2-methylsulfanylethyl)azetidine

C7H14FNS — CID 154977326

IUPAC3-fluoro-1-methyl-3-(2-methylsulfanylethyl)azetidine
SMILESCSCCC1(F)CN(C)C1
InChIInChI=1S/C7H14FNS/c1-9-5-7(8,6-9)3-4-10-2/h3-6H2,1-2H3
InChIKeyXPOYNFPOYWMZDP-UHFFFAOYSA-N
MW163.26 g/mol
LogP1.39
Rot. Bonds3

About 3-fluoro-1-methyl-3-(2-methylsulfanylethyl)azetidine

3-fluoro-1-methyl-3-(2-methylsulfanylethyl)azetidine (PubChem CID 154977326) has the molecular formula C7H14FNS and a molecular weight of 163.26 g/mol. Its IUPAC name is 3-fluoro-1-methyl-3-(2-methylsulfanylethyl)azetidine.

Molecular Properties

Compound Name3-fluoro-1-methyl-3-(2-methylsulfanylethyl)azetidine
PubChem CID154977326
Molecular FormulaC7H14FNS
Molecular Weight163.26 g/mol
Exact Mass163.08
IUPAC Name3-fluoro-1-methyl-3-(2-methylsulfanylethyl)azetidine
SMILESCSCCC1(F)CN(C)C1
InChIInChI=1S/C7H14FNS/c1-9-5-7(8,6-9)3-4-10-2/h3-6H2,1-2H3
InChIKeyXPOYNFPOYWMZDP-UHFFFAOYSA-N
XLogP1.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methyl-3-(2-methylsulfanylethyl)azetidine?
The IUPAC name of 3-fluoro-1-methyl-3-(2-methylsulfanylethyl)azetidine (CID 154977326) is 3-fluoro-1-methyl-3-(2-methylsulfanylethyl)azetidine.
What is the SMILES notation for 3-fluoro-1-methyl-3-(2-methylsulfanylethyl)azetidine?
The canonical SMILES for 3-fluoro-1-methyl-3-(2-methylsulfanylethyl)azetidine is CSCCC1(F)CN(C)C1.
What is the InChIKey of 3-fluoro-1-methyl-3-(2-methylsulfanylethyl)azetidine?
The InChIKey is XPOYNFPOYWMZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNS/c1-9-5-7(8,6-9)3-4-10-2/h3-6H2,1-2H3.
What are the key properties of 3-fluoro-1-methyl-3-(2-methylsulfanylethyl)azetidine?
3-fluoro-1-methyl-3-(2-methylsulfanylethyl)azetidine has a molecular weight of 163.26 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-3-(2-methylsulfanylethyl)azetidine is sourced from PubChem (CID 154977326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).