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

C12H14F3NS — CID 115070968

IUPAC2-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]azetidine
SMILESFC(F)(F)c1ccccc1CSCC1CCN1
InChIInChI=1S/C12H14F3NS/c13-12(14,15)11-4-2-1-3-9(11)7-17-8-10-5-6-16-10/h1-4,10,16H,5-8H2
InChIKeyFLNMTNPIPCKWGQ-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.30
Rot. Bonds4

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

2-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]azetidine (PubChem CID 115070968) has the molecular formula C12H14F3NS and a molecular weight of 261.31 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]azetidine.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]azetidine
PubChem CID115070968
Molecular FormulaC12H14F3NS
Molecular Weight261.31 g/mol
Exact Mass261.08
IUPAC Name2-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]azetidine
SMILESFC(F)(F)c1ccccc1CSCC1CCN1
InChIInChI=1S/C12H14F3NS/c13-12(14,15)11-4-2-1-3-9(11)7-17-8-10-5-6-16-10/h1-4,10,16H,5-8H2
InChIKeyFLNMTNPIPCKWGQ-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]pyrrolidine
CID 115070736
2-[[2-(trifluoromethyl)phenyl]sulfanylmethyl]azetidine
CID 115070917
2-(benzylsulfanylmethyl)azetidine
CID 115070954
2-(pyrrolidin-2-ylmethylsulfanylmethyl)phenol
CID 115071010
2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]ethanol
CID 43417004
2-[(2-methylphenyl)methylsulfanylmethyl]pyrrolidine
CID 62769476
2-[(2-bromophenyl)methylsulfanylmethyl]piperidine
CID 115071035
2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]azetidine
CID 115071057
(2S)-3-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 71059351
1-(2-methylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 112739545
2-[(4-methylphenyl)methylsulfanylmethyl]azetidine
CID 115070984
2-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]pyrrolidine
CID 115070999

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]azetidine?
The IUPAC name of 2-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]azetidine (CID 115070968) is 2-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]azetidine.
What is the SMILES notation for 2-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]azetidine?
The canonical SMILES for 2-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]azetidine is FC(F)(F)c1ccccc1CSCC1CCN1.
What is the InChIKey of 2-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]azetidine?
The InChIKey is FLNMTNPIPCKWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NS/c13-12(14,15)11-4-2-1-3-9(11)7-17-8-10-5-6-16-10/h1-4,10,16H,5-8H2.
What are the key properties of 2-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]azetidine?
2-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]azetidine has a molecular weight of 261.31 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]azetidine is sourced from PubChem (CID 115070968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).