2,2,2-trifluoro-N-methyl-1-[4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine

C12H10F6N2 — CID 59157396

IUPAC2,2,2-trifluoro-N-methyl-1-[4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine
SMILESC/N=C(\c1ccc(/C(=N\C)C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C12H10F6N2/c1-19-9(11(13,14)15)7-3-5-8(6-4-7)10(20-2)12(16,17)18/h3-6H,1-2H3/b19-9+,20-10+
InChIKeyRZHFFYLCLIUONH-LQGKIZFRSA-N
MW296.21 g/mol
LogP3.65
Rot. Bonds2

About 2,2,2-trifluoro-N-methyl-1-[4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine

2,2,2-trifluoro-N-methyl-1-[4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine (PubChem CID 59157396) has the molecular formula C12H10F6N2 and a molecular weight of 296.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-1-[4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-1-[4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine
PubChem CID59157396
Molecular FormulaC12H10F6N2
Molecular Weight296.21 g/mol
Exact Mass296.07
IUPAC Name2,2,2-trifluoro-N-methyl-1-[4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine
SMILESC/N=C(\c1ccc(/C(=N\C)C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C12H10F6N2/c1-19-9(11(13,14)15)7-3-5-8(6-4-7)10(20-2)12(16,17)18/h3-6H,1-2H3/b19-9+,20-10+
InChIKeyRZHFFYLCLIUONH-LQGKIZFRSA-N
XLogP3.65
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.65
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 2,2,2-trifluoro-N-methyl-1-[4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine?
The IUPAC name of 2,2,2-trifluoro-N-methyl-1-[4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine (CID 59157396) is 2,2,2-trifluoro-N-methyl-1-[4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-1-[4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-1-[4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine is C/N=C(\c1ccc(/C(=N\C)C(F)(F)F)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-1-[4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine?
The InChIKey is RZHFFYLCLIUONH-LQGKIZFRSA-N. The full InChI is InChI=1S/C12H10F6N2/c1-19-9(11(13,14)15)7-3-5-8(6-4-7)10(20-2)12(16,17)18/h3-6H,1-2H3/b19-9+,20-10+.
What are the key properties of 2,2,2-trifluoro-N-methyl-1-[4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine?
2,2,2-trifluoro-N-methyl-1-[4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine has a molecular weight of 296.21 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-1-[4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine is sourced from PubChem (CID 59157396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).