N,N'-dimethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diimine

C11H11F3N2 — CID 59194396

IUPACN,N'-dimethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diimine
SMILESC/N=C(\C=N\C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3N2/c1-15-7-10(16-2)8-3-5-9(6-4-8)11(12,13)14/h3-7H,1-2H3/b15-7+,16-10+
InChIKeyPLWIACHNDGRKRJ-FJFWOBFQSA-N
MW228.22 g/mol
LogP2.82
Rot. Bonds2

About N,N'-dimethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diimine

N,N'-dimethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diimine (PubChem CID 59194396) has the molecular formula C11H11F3N2 and a molecular weight of 228.22 g/mol. Its IUPAC name is N,N'-dimethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diimine.

Molecular Properties

Compound NameN,N'-dimethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diimine
PubChem CID59194396
Molecular FormulaC11H11F3N2
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC NameN,N'-dimethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diimine
SMILESC/N=C(\C=N\C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3N2/c1-15-7-10(16-2)8-3-5-9(6-4-8)11(12,13)14/h3-7H,1-2H3/b15-7+,16-10+
InChIKeyPLWIACHNDGRKRJ-FJFWOBFQSA-N
XLogP2.82
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 52.82
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,N'-dimethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diimine?
The IUPAC name of N,N'-dimethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diimine (CID 59194396) is N,N'-dimethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diimine.
What is the SMILES notation for N,N'-dimethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diimine?
The canonical SMILES for N,N'-dimethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diimine is C/N=C(\C=N\C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N,N'-dimethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diimine?
The InChIKey is PLWIACHNDGRKRJ-FJFWOBFQSA-N. The full InChI is InChI=1S/C11H11F3N2/c1-15-7-10(16-2)8-3-5-9(6-4-8)11(12,13)14/h3-7H,1-2H3/b15-7+,16-10+.
What are the key properties of N,N'-dimethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diimine?
N,N'-dimethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diimine has a molecular weight of 228.22 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diimine is sourced from PubChem (CID 59194396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).