(E)-2-(trifluoromethyl)pent-2-ene-1,4-diimine

C6H7F3N2 — CID 165143463

IUPAC(E)-2-(trifluoromethyl)pent-2-ene-1,4-diimine
SMILES[H]/N=C/C(=C\C(C)=N\[H])C(F)(F)F
InChIInChI=1S/C6H7F3N2/c1-4(11)2-5(3-10)6(7,8)9/h2-3,10-11H,1H3/b5-2+,10-3+,11-4+
InChIKeyNVWUHNWTMDAGAT-WXIATYDKSA-N
MW164.13 g/mol
LogP2.16
Rot. Bonds2

About (E)-2-(trifluoromethyl)pent-2-ene-1,4-diimine

(E)-2-(trifluoromethyl)pent-2-ene-1,4-diimine (PubChem CID 165143463) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is (E)-2-(trifluoromethyl)pent-2-ene-1,4-diimine.

Molecular Properties

Compound Name(E)-2-(trifluoromethyl)pent-2-ene-1,4-diimine
PubChem CID165143463
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name(E)-2-(trifluoromethyl)pent-2-ene-1,4-diimine
SMILES[H]/N=C/C(=C\C(C)=N\[H])C(F)(F)F
InChIInChI=1S/C6H7F3N2/c1-4(11)2-5(3-10)6(7,8)9/h2-3,10-11H,1H3/b5-2+,10-3+,11-4+
InChIKeyNVWUHNWTMDAGAT-WXIATYDKSA-N
XLogP2.16
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-fluoro-2-methylidenehex-4-ene-1,3-diimine
CID 123197329
(E)-3-fluoro-2-methylpent-2-ene-1,4-diimine
CID 138494920
(E)-1,1,1-trifluoro-4-methylhex-3-ene-2,5-diimine
CID 139435452
6-methyl-7-(trifluoromethyl)-4H-diazepine
CID 141985994
(Z)-5,5,5-trifluoro-3-methylpent-2-ene-1,4-diimine
CID 141985997
(Z)-1,1,1-trifluoro-4-methylhex-3-ene-2,5-diimine
CID 145206456
(E)-2-(1,1-difluoroethyl)but-2-en-1-imine
CID 147852045
(E)-2-(1,1-difluoroethyl)but-2-en-1-imine;ethane
CID 171493318
(Z)-3-methanimidoylpent-2-enimidoyl fluoride
CID 143799789
(E)-3-(trifluoromethyl)pent-2-en-1-imine
CID 162619549
(Z)-3-methylpent-2-ene-1,4-diimine
CID 87688718
(Z)-2-methylpent-2-ene-1,4-diimine
CID 88986015

Frequently Asked Questions

What is the IUPAC name of (E)-2-(trifluoromethyl)pent-2-ene-1,4-diimine?
The IUPAC name of (E)-2-(trifluoromethyl)pent-2-ene-1,4-diimine (CID 165143463) is (E)-2-(trifluoromethyl)pent-2-ene-1,4-diimine.
What is the SMILES notation for (E)-2-(trifluoromethyl)pent-2-ene-1,4-diimine?
The canonical SMILES for (E)-2-(trifluoromethyl)pent-2-ene-1,4-diimine is [H]/N=C/C(=C\C(C)=N\[H])C(F)(F)F.
What is the InChIKey of (E)-2-(trifluoromethyl)pent-2-ene-1,4-diimine?
The InChIKey is NVWUHNWTMDAGAT-WXIATYDKSA-N. The full InChI is InChI=1S/C6H7F3N2/c1-4(11)2-5(3-10)6(7,8)9/h2-3,10-11H,1H3/b5-2+,10-3+,11-4+.
What are the key properties of (E)-2-(trifluoromethyl)pent-2-ene-1,4-diimine?
(E)-2-(trifluoromethyl)pent-2-ene-1,4-diimine has a molecular weight of 164.13 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(trifluoromethyl)pent-2-ene-1,4-diimine is sourced from PubChem (CID 165143463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).