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

C11H12F3NS — CID 102359555

IUPACN-propan-2-yl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine
SMILESCC(C)/N=C/c1ccccc1SC(F)(F)F
InChIInChI=1S/C11H12F3NS/c1-8(2)15-7-9-5-3-4-6-10(9)16-11(12,13)14/h3-8H,1-2H3/b15-7+
InChIKeyKLGKSYWHCRPRDP-VIZOYTHASA-N
MW247.29 g/mol
LogP4.13
Rot. Bonds3

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

N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine (PubChem CID 102359555) has the molecular formula C11H12F3NS and a molecular weight of 247.29 g/mol. Its IUPAC name is N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine.

Molecular Properties

Compound NameN-propan-2-yl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine
PubChem CID102359555
Molecular FormulaC11H12F3NS
Molecular Weight247.29 g/mol
Exact Mass247.06
IUPAC NameN-propan-2-yl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine
SMILESCC(C)/N=C/c1ccccc1SC(F)(F)F
InChIInChI=1S/C11H12F3NS/c1-8(2)15-7-9-5-3-4-6-10(9)16-11(12,13)14/h3-8H,1-2H3/b15-7+
InChIKeyKLGKSYWHCRPRDP-VIZOYTHASA-N
XLogP4.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 54.13
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-propan-2-yl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine?
The IUPAC name of N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine (CID 102359555) is N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine.
What is the SMILES notation for N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine?
The canonical SMILES for N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine is CC(C)/N=C/c1ccccc1SC(F)(F)F.
What is the InChIKey of N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine?
The InChIKey is KLGKSYWHCRPRDP-VIZOYTHASA-N. The full InChI is InChI=1S/C11H12F3NS/c1-8(2)15-7-9-5-3-4-6-10(9)16-11(12,13)14/h3-8H,1-2H3/b15-7+.
What are the key properties of N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine?
N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine has a molecular weight of 247.29 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)phenyl]methanimine is sourced from PubChem (CID 102359555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).