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

C14H10F3NS — CID 166442420

IUPACN-phenyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine
SMILESFC(F)(F)Sc1ccccc1/C=N/c1ccccc1
InChIInChI=1S/C14H10F3NS/c15-14(16,17)19-13-9-5-4-6-11(13)10-18-12-7-2-1-3-8-12/h1-10H/b18-10+
InChIKeyFVKXUOCISGQPFX-VCHYOVAHSA-N
MW281.30 g/mol
LogP5.05
Rot. Bonds3

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

N-phenyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine (PubChem CID 166442420) has the molecular formula C14H10F3NS and a molecular weight of 281.30 g/mol. Its IUPAC name is N-phenyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine.

Molecular Properties

Compound NameN-phenyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine
PubChem CID166442420
Molecular FormulaC14H10F3NS
Molecular Weight281.30 g/mol
Exact Mass281.05
IUPAC NameN-phenyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine
SMILESFC(F)(F)Sc1ccccc1/C=N/c1ccccc1
InChIInChI=1S/C14H10F3NS/c15-14(16,17)19-13-9-5-4-6-11(13)10-18-12-7-2-1-3-8-12/h1-10H/b18-10+
InChIKeyFVKXUOCISGQPFX-VCHYOVAHSA-N
XLogP5.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.30
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-phenyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine?
The IUPAC name of N-phenyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine (CID 166442420) is N-phenyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine.
What is the SMILES notation for N-phenyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine?
The canonical SMILES for N-phenyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine is FC(F)(F)Sc1ccccc1/C=N/c1ccccc1.
What is the InChIKey of N-phenyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine?
The InChIKey is FVKXUOCISGQPFX-VCHYOVAHSA-N. The full InChI is InChI=1S/C14H10F3NS/c15-14(16,17)19-13-9-5-4-6-11(13)10-18-12-7-2-1-3-8-12/h1-10H/b18-10+.
What are the key properties of N-phenyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine?
N-phenyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine has a molecular weight of 281.30 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine is sourced from PubChem (CID 166442420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).