(E)-N-methyl-N'-methylidene-2-(trifluoromethyl)prop-2-ene-1,3-diimine

C6H7F3N2 — CID 167172073

IUPAC(E)-N-methyl-N'-methylidene-2-(trifluoromethyl)prop-2-ene-1,3-diimine
SMILESC=N/C=C(\C=N\C)C(F)(F)F
InChIInChI=1S/C6H7F3N2/c1-10-3-5(4-11-2)6(7,8)9/h3-4H,1H2,2H3/b5-3+,11-4+
InChIKeyHOYFQSXTOYIVGN-NIDLAPIMSA-N
MW164.13 g/mol
LogP1.83
Rot. Bonds2

About (E)-N-methyl-N'-methylidene-2-(trifluoromethyl)prop-2-ene-1,3-diimine

(E)-N-methyl-N'-methylidene-2-(trifluoromethyl)prop-2-ene-1,3-diimine (PubChem CID 167172073) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is (E)-N-methyl-N'-methylidene-2-(trifluoromethyl)prop-2-ene-1,3-diimine.

Molecular Properties

Compound Name(E)-N-methyl-N'-methylidene-2-(trifluoromethyl)prop-2-ene-1,3-diimine
PubChem CID167172073
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name(E)-N-methyl-N'-methylidene-2-(trifluoromethyl)prop-2-ene-1,3-diimine
SMILESC=N/C=C(\C=N\C)C(F)(F)F
InChIInChI=1S/C6H7F3N2/c1-10-3-5(4-11-2)6(7,8)9/h3-4H,1H2,2H3/b5-3+,11-4+
InChIKeyHOYFQSXTOYIVGN-NIDLAPIMSA-N
XLogP1.83
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium chloride
CID 11042574
(3-Dimethylamino-2-trifluoromethyl-allylidene)-dimethyl-ammonium chloride
CID 85377738
(Z)-N-(3-(Dimethylamino)-2-(trifluoromethyl)allylidene)-N-methylmethanaminium
CID 10545081
[(E)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium
CID 11075243
Dimethyl[(Z)-2-(trifluoromethyl)-3-(dimethylamino)-2-propenylidene]aminium
CID 28360545
N-methyl-2-(trifluoromethyl)prop-2-en-1-imine
CID 90766400
(Z)-2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine
CID 122490949
2-(ethyliminomethyl)-3,3,3-trifluoro-N,N-dimethylprop-1-en-1-amine
CID 123799783
N-ethenyl-2-(trifluoromethyl)prop-2-en-1-imine
CID 124133551
N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]methanimine
CID 134257495
1,2-dimethyl-5-(trifluoromethyl)-2H-pyrimidine
CID 135234775
(E)-3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine
CID 138628577

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-N'-methylidene-2-(trifluoromethyl)prop-2-ene-1,3-diimine?
The IUPAC name of (E)-N-methyl-N'-methylidene-2-(trifluoromethyl)prop-2-ene-1,3-diimine (CID 167172073) is (E)-N-methyl-N'-methylidene-2-(trifluoromethyl)prop-2-ene-1,3-diimine.
What is the SMILES notation for (E)-N-methyl-N'-methylidene-2-(trifluoromethyl)prop-2-ene-1,3-diimine?
The canonical SMILES for (E)-N-methyl-N'-methylidene-2-(trifluoromethyl)prop-2-ene-1,3-diimine is C=N/C=C(\C=N\C)C(F)(F)F.
What is the InChIKey of (E)-N-methyl-N'-methylidene-2-(trifluoromethyl)prop-2-ene-1,3-diimine?
The InChIKey is HOYFQSXTOYIVGN-NIDLAPIMSA-N. The full InChI is InChI=1S/C6H7F3N2/c1-10-3-5(4-11-2)6(7,8)9/h3-4H,1H2,2H3/b5-3+,11-4+.
What are the key properties of (E)-N-methyl-N'-methylidene-2-(trifluoromethyl)prop-2-ene-1,3-diimine?
(E)-N-methyl-N'-methylidene-2-(trifluoromethyl)prop-2-ene-1,3-diimine has a molecular weight of 164.13 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-N'-methylidene-2-(trifluoromethyl)prop-2-ene-1,3-diimine is sourced from PubChem (CID 167172073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).