2-[[2-(trifluoromethyl)phenyl]sulfanylmethyl]azetidine

C11H12F3NS — CID 115070917

IUPAC2-[[2-(trifluoromethyl)phenyl]sulfanylmethyl]azetidine
SMILESFC(F)(F)c1ccccc1SCC1CCN1
InChIInChI=1S/C11H12F3NS/c12-11(13,14)9-3-1-2-4-10(9)16-7-8-5-6-15-8/h1-4,8,15H,5-7H2
InChIKeyXXKJRPBMEVCXBL-UHFFFAOYSA-N
MW247.28 g/mol
LogP3.16
Rot. Bonds3

About 2-[[2-(trifluoromethyl)phenyl]sulfanylmethyl]azetidine

2-[[2-(trifluoromethyl)phenyl]sulfanylmethyl]azetidine (PubChem CID 115070917) has the molecular formula C11H12F3NS and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)phenyl]sulfanylmethyl]azetidine.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)phenyl]sulfanylmethyl]azetidine
PubChem CID115070917
Molecular FormulaC11H12F3NS
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC Name2-[[2-(trifluoromethyl)phenyl]sulfanylmethyl]azetidine
SMILESFC(F)(F)c1ccccc1SCC1CCN1
InChIInChI=1S/C11H12F3NS/c12-11(13,14)9-3-1-2-4-10(9)16-7-8-5-6-15-8/h1-4,8,15H,5-7H2
InChIKeyXXKJRPBMEVCXBL-UHFFFAOYSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]azetidine
CID 115070968
2-[(2-chlorophenyl)sulfanylmethyl]azetidine
CID 115070920
2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]azetidine
CID 115071057
3-[2-(trifluoromethyl)phenyl]sulfanylazetidine
CID 105492427
tert-butyl 3-[[2-(trifluoromethyl)phenyl]sulfanylmethyl]pyrrolidine-1-carboxylate
CID 169320002
N-[2-(trifluoromethyl)phenyl]sulfanylcyclobutanamine
CID 156543553
2-(benzylsulfanylmethyl)azetidine
CID 115070954
2-pyrrolidin-2-yl-1-[2-(trifluoromethyl)phenyl]ethanol
CID 81467198
2-(4-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 116685769
4-[2-(trifluoromethyl)phenyl]sulfanylbutan-2-one
CID 151415554
2-methyl-2-[phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine
CID 153267333
2-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 23339323

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethyl)phenyl]sulfanylmethyl]azetidine?
The IUPAC name of 2-[[2-(trifluoromethyl)phenyl]sulfanylmethyl]azetidine (CID 115070917) is 2-[[2-(trifluoromethyl)phenyl]sulfanylmethyl]azetidine.
What is the SMILES notation for 2-[[2-(trifluoromethyl)phenyl]sulfanylmethyl]azetidine?
The canonical SMILES for 2-[[2-(trifluoromethyl)phenyl]sulfanylmethyl]azetidine is FC(F)(F)c1ccccc1SCC1CCN1.
What is the InChIKey of 2-[[2-(trifluoromethyl)phenyl]sulfanylmethyl]azetidine?
The InChIKey is XXKJRPBMEVCXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NS/c12-11(13,14)9-3-1-2-4-10(9)16-7-8-5-6-15-8/h1-4,8,15H,5-7H2.
What are the key properties of 2-[[2-(trifluoromethyl)phenyl]sulfanylmethyl]azetidine?
2-[[2-(trifluoromethyl)phenyl]sulfanylmethyl]azetidine has a molecular weight of 247.28 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethyl)phenyl]sulfanylmethyl]azetidine is sourced from PubChem (CID 115070917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).