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

C6H7F3N2 — CID 167260520

IUPAC(E)-N'-ethylidene-2-(trifluoromethyl)prop-2-ene-1,3-diimine
SMILES[H]/N=C/C(=C\N=C\C)C(F)(F)F
InChIInChI=1S/C6H7F3N2/c1-2-11-4-5(3-10)6(7,8)9/h2-4,10H,1H3/b5-4+,10-3+,11-2+
InChIKeyMWVNCRLCEYUICE-OSYLHJNZSA-N
MW164.13 g/mol
LogP2.17
Rot. Bonds2

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

(E)-N'-ethylidene-2-(trifluoromethyl)prop-2-ene-1,3-diimine (PubChem CID 167260520) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is (E)-N'-ethylidene-2-(trifluoromethyl)prop-2-ene-1,3-diimine.

Molecular Properties

Compound Name(E)-N'-ethylidene-2-(trifluoromethyl)prop-2-ene-1,3-diimine
PubChem CID167260520
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name(E)-N'-ethylidene-2-(trifluoromethyl)prop-2-ene-1,3-diimine
SMILES[H]/N=C/C(=C\N=C\C)C(F)(F)F
InChIInChI=1S/C6H7F3N2/c1-2-11-4-5(3-10)6(7,8)9/h2-4,10H,1H3/b5-4+,10-3+,11-2+
InChIKeyMWVNCRLCEYUICE-OSYLHJNZSA-N
XLogP2.17
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N'-propylideneprop-2-ene-1,3-diimine
CID 123333938
N-[2-(trifluoromethyl)prop-2-enylidene]ethanimidamide
CID 123466878
N'-ethylidene-2-fluoroprop-2-ene-1,3-diimine
CID 123586364
(E)-3,3,3-trifluoro-2-methanimidoylprop-1-en-1-amine
CID 135251200
(E)-3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine
CID 138628577
(Z,3E)-3-(difluoromethylimino)-2-methylprop-1-en-1-amine
CID 144443620
dimethyl-[(Z)-3-(methylamino)-2-(trifluoromethyl)prop-2-enylidene]azanium
CID 144448385
3,3,3-Trifluoro-2-(methyliminomethyl)prop-1-en-1-amine
CID 147515470
(Z)-3,3,3-trifluoro-N-methyl-2-(methyliminomethyl)prop-1-en-1-amine
CID 147780972
(Z,3E)-3-(fluoromethylimino)-2-methylprop-1-en-1-amine
CID 155136872
(Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine
CID 156819096
(Z)-3,3,3-trifluoro-N,N-dimethyl-2-(methyliminomethyl)prop-1-en-1-amine
CID 162558665

Frequently Asked Questions

What is the IUPAC name of (E)-N'-ethylidene-2-(trifluoromethyl)prop-2-ene-1,3-diimine?
The IUPAC name of (E)-N'-ethylidene-2-(trifluoromethyl)prop-2-ene-1,3-diimine (CID 167260520) is (E)-N'-ethylidene-2-(trifluoromethyl)prop-2-ene-1,3-diimine.
What is the SMILES notation for (E)-N'-ethylidene-2-(trifluoromethyl)prop-2-ene-1,3-diimine?
The canonical SMILES for (E)-N'-ethylidene-2-(trifluoromethyl)prop-2-ene-1,3-diimine is [H]/N=C/C(=C\N=C\C)C(F)(F)F.
What is the InChIKey of (E)-N'-ethylidene-2-(trifluoromethyl)prop-2-ene-1,3-diimine?
The InChIKey is MWVNCRLCEYUICE-OSYLHJNZSA-N. The full InChI is InChI=1S/C6H7F3N2/c1-2-11-4-5(3-10)6(7,8)9/h2-4,10H,1H3/b5-4+,10-3+,11-2+.
What are the key properties of (E)-N'-ethylidene-2-(trifluoromethyl)prop-2-ene-1,3-diimine?
(E)-N'-ethylidene-2-(trifluoromethyl)prop-2-ene-1,3-diimine has a molecular weight of 164.13 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-ethylidene-2-(trifluoromethyl)prop-2-ene-1,3-diimine is sourced from PubChem (CID 167260520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).