3-(2,2,2-trifluoroethylsulfinylmethyl)azetidine

C6H10F3NOS — CID 81198075

IUPAC3-(2,2,2-trifluoroethylsulfinylmethyl)azetidine
SMILESO=S(CC1CNC1)CC(F)(F)F
InChIInChI=1S/C6H10F3NOS/c7-6(8,9)4-12(11)3-5-1-10-2-5/h5,10H,1-4H2
InChIKeyZERXTZAXGRWYLN-UHFFFAOYSA-N
MW201.21 g/mol
LogP0.52
Rot. Bonds3

About 3-(2,2,2-trifluoroethylsulfinylmethyl)azetidine

3-(2,2,2-trifluoroethylsulfinylmethyl)azetidine (PubChem CID 81198075) has the molecular formula C6H10F3NOS and a molecular weight of 201.21 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethylsulfinylmethyl)azetidine.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethylsulfinylmethyl)azetidine
PubChem CID81198075
Molecular FormulaC6H10F3NOS
Molecular Weight201.21 g/mol
Exact Mass201.04
IUPAC Name3-(2,2,2-trifluoroethylsulfinylmethyl)azetidine
SMILESO=S(CC1CNC1)CC(F)(F)F
InChIInChI=1S/C6H10F3NOS/c7-6(8,9)4-12(11)3-5-1-10-2-5/h5,10H,1-4H2
InChIKeyZERXTZAXGRWYLN-UHFFFAOYSA-N
XLogP0.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethylsulfinylmethyl)azetidine?
The IUPAC name of 3-(2,2,2-trifluoroethylsulfinylmethyl)azetidine (CID 81198075) is 3-(2,2,2-trifluoroethylsulfinylmethyl)azetidine.
What is the SMILES notation for 3-(2,2,2-trifluoroethylsulfinylmethyl)azetidine?
The canonical SMILES for 3-(2,2,2-trifluoroethylsulfinylmethyl)azetidine is O=S(CC1CNC1)CC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethylsulfinylmethyl)azetidine?
The InChIKey is ZERXTZAXGRWYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NOS/c7-6(8,9)4-12(11)3-5-1-10-2-5/h5,10H,1-4H2.
What are the key properties of 3-(2,2,2-trifluoroethylsulfinylmethyl)azetidine?
3-(2,2,2-trifluoroethylsulfinylmethyl)azetidine has a molecular weight of 201.21 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethylsulfinylmethyl)azetidine is sourced from PubChem (CID 81198075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).