1-methylsulfinyl-3-(trifluoromethyl)azetidine

C5H8F3NOS — CID 139502402

IUPAC1-methylsulfinyl-3-(trifluoromethyl)azetidine
SMILESCS(=O)N1CC(C(F)(F)F)C1
InChIInChI=1S/C5H8F3NOS/c1-11(10)9-2-4(3-9)5(6,7)8/h4H,2-3H2,1H3
InChIKeyGNJQGFMQLQZVJA-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.77
Rot. Bonds1

About 1-methylsulfinyl-3-(trifluoromethyl)azetidine

1-methylsulfinyl-3-(trifluoromethyl)azetidine (PubChem CID 139502402) has the molecular formula C5H8F3NOS and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-methylsulfinyl-3-(trifluoromethyl)azetidine.

Molecular Properties

Compound Name1-methylsulfinyl-3-(trifluoromethyl)azetidine
PubChem CID139502402
Molecular FormulaC5H8F3NOS
Molecular Weight187.19 g/mol
Exact Mass187.03
IUPAC Name1-methylsulfinyl-3-(trifluoromethyl)azetidine
SMILESCS(=O)N1CC(C(F)(F)F)C1
InChIInChI=1S/C5H8F3NOS/c1-11(10)9-2-4(3-9)5(6,7)8/h4H,2-3H2,1H3
InChIKeyGNJQGFMQLQZVJA-UHFFFAOYSA-N
XLogP0.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfinyl-3-(trifluoromethyl)azetidine?
The IUPAC name of 1-methylsulfinyl-3-(trifluoromethyl)azetidine (CID 139502402) is 1-methylsulfinyl-3-(trifluoromethyl)azetidine.
What is the SMILES notation for 1-methylsulfinyl-3-(trifluoromethyl)azetidine?
The canonical SMILES for 1-methylsulfinyl-3-(trifluoromethyl)azetidine is CS(=O)N1CC(C(F)(F)F)C1.
What is the InChIKey of 1-methylsulfinyl-3-(trifluoromethyl)azetidine?
The InChIKey is GNJQGFMQLQZVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NOS/c1-11(10)9-2-4(3-9)5(6,7)8/h4H,2-3H2,1H3.
What are the key properties of 1-methylsulfinyl-3-(trifluoromethyl)azetidine?
1-methylsulfinyl-3-(trifluoromethyl)azetidine has a molecular weight of 187.19 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfinyl-3-(trifluoromethyl)azetidine is sourced from PubChem (CID 139502402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).