N-methyl-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]methanamine

C10H11F3N2 — CID 138963203

IUPACN-methyl-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]methanamine
SMILESCN(C)/N=C(/c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H11F3N2/c1-15(2)14-9(10(11,12)13)8-6-4-3-5-7-8/h3-7H,1-2H3/b14-9-
InChIKeyHLKJSZJMBXZBRU-ZROIWOOFSA-N
MW216.21 g/mol
LogP2.51
Rot. Bonds2

About N-methyl-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]methanamine

N-methyl-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]methanamine (PubChem CID 138963203) has the molecular formula C10H11F3N2 and a molecular weight of 216.21 g/mol. Its IUPAC name is N-methyl-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]methanamine
PubChem CID138963203
Molecular FormulaC10H11F3N2
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC NameN-methyl-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]methanamine
SMILESCN(C)/N=C(/c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H11F3N2/c1-15(2)14-9(10(11,12)13)8-6-4-3-5-7-8/h3-7H,1-2H3/b14-9-
InChIKeyHLKJSZJMBXZBRU-ZROIWOOFSA-N
XLogP2.51
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine
CID 11323391
N-[(2,2,2-trifluoro-1-phenylethylidene)amino]aniline
CID 86021252
2,2,2-trifluoro-N-octyl-1-phenylethanimine
CID 102263374
(2R)-2-methyl-2-[(2,2,2-trifluoro-1-phenylethylidene)amino]butanoic acid
CID 87795705
N-[(2,2,2-trifluoro-1-phenylethylidene)amino]benzamide
CID 129248931
2,2,2-trifluoro-1-phenyl-N-(2-phenylethyl)ethanimine
CID 10912810
2-(dimethylhydrazinylidene)-1,2-diphenylethanone
CID 73182544
[[(E)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxy-fluoro-phenylsilyl] (1E)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate
CID 177496858
potassium;ethane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetate
CID 143181605
2,2-dichloro-2-fluoro-1-phenyl-N-propan-2-ylethanimine
CID 102322180
2-tert-butyl-6-[(2,2,2-trifluoro-1-phenylethylidene)amino]phenol
CID 100965136
N-[(E)-(2,2-dimethoxy-1-phenylethylidene)amino]-N-methylmethanamine
CID 6376974

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]methanamine?
The IUPAC name of N-methyl-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]methanamine (CID 138963203) is N-methyl-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]methanamine.
What is the SMILES notation for N-methyl-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]methanamine?
The canonical SMILES for N-methyl-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]methanamine is CN(C)/N=C(/c1ccccc1)C(F)(F)F.
What is the InChIKey of N-methyl-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]methanamine?
The InChIKey is HLKJSZJMBXZBRU-ZROIWOOFSA-N. The full InChI is InChI=1S/C10H11F3N2/c1-15(2)14-9(10(11,12)13)8-6-4-3-5-7-8/h3-7H,1-2H3/b14-9-.
What are the key properties of N-methyl-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]methanamine?
N-methyl-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]methanamine has a molecular weight of 216.21 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]methanamine is sourced from PubChem (CID 138963203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).