N-benzyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine

C15H12F3NS — CID 132600634

IUPACN-benzyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine
SMILESFC(F)(F)Sc1ccccc1/C=N/Cc1ccccc1
InChIInChI=1S/C15H12F3NS/c16-15(17,18)20-14-9-5-4-8-13(14)11-19-10-12-6-2-1-3-7-12/h1-9,11H,10H2/b19-11+
InChIKeyATEASWJOPDUYSP-YBFXNURJSA-N
MW295.33 g/mol
LogP4.92
Rot. Bonds4

About N-benzyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine

N-benzyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine (PubChem CID 132600634) has the molecular formula C15H12F3NS and a molecular weight of 295.33 g/mol. Its IUPAC name is N-benzyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine.

Molecular Properties

Compound NameN-benzyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine
PubChem CID132600634
Molecular FormulaC15H12F3NS
Molecular Weight295.33 g/mol
Exact Mass295.06
IUPAC NameN-benzyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine
SMILESFC(F)(F)Sc1ccccc1/C=N/Cc1ccccc1
InChIInChI=1S/C15H12F3NS/c16-15(17,18)20-14-9-5-4-8-13(14)11-19-10-12-6-2-1-3-7-12/h1-9,11H,10H2/b19-11+
InChIKeyATEASWJOPDUYSP-YBFXNURJSA-N
XLogP4.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine?
The IUPAC name of N-benzyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine (CID 132600634) is N-benzyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine.
What is the SMILES notation for N-benzyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine?
The canonical SMILES for N-benzyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine is FC(F)(F)Sc1ccccc1/C=N/Cc1ccccc1.
What is the InChIKey of N-benzyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine?
The InChIKey is ATEASWJOPDUYSP-YBFXNURJSA-N. The full InChI is InChI=1S/C15H12F3NS/c16-15(17,18)20-14-9-5-4-8-13(14)11-19-10-12-6-2-1-3-7-12/h1-9,11H,10H2/b19-11+.
What are the key properties of N-benzyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine?
N-benzyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine has a molecular weight of 295.33 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine is sourced from PubChem (CID 132600634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).