(5E,7E)-2-ethyl-4-N-propyl-5-(trifluoromethyl)cyclonona-5,7-diene-1,4-diimine

C15H21F3N2 — CID 123420437

IUPAC(5E,7E)-2-ethyl-4-N-propyl-5-(trifluoromethyl)cyclonona-5,7-diene-1,4-diimine
SMILES[H]/N=C1\C/C=C/C=C(C(F)(F)F)\C(=N\CCC)CC1CC
InChIInChI=1S/C15H21F3N2/c1-3-9-20-14-10-11(4-2)13(19)8-6-5-7-12(14)15(16,17)18/h5-7,11,19H,3-4,8-10H2,1-2H3/b6-5+,12-7+,19-13+,20-14+
InChIKeyAVZLUPLLEAZGMU-DEUCTRLMSA-N
MW286.34 g/mol
LogP4.72
Rot. Bonds3

About (5E,7E)-2-ethyl-4-N-propyl-5-(trifluoromethyl)cyclonona-5,7-diene-1,4-diimine

(5E,7E)-2-ethyl-4-N-propyl-5-(trifluoromethyl)cyclonona-5,7-diene-1,4-diimine (PubChem CID 123420437) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is (5E,7E)-2-ethyl-4-N-propyl-5-(trifluoromethyl)cyclonona-5,7-diene-1,4-diimine.

Molecular Properties

Compound Name(5E,7E)-2-ethyl-4-N-propyl-5-(trifluoromethyl)cyclonona-5,7-diene-1,4-diimine
PubChem CID123420437
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name(5E,7E)-2-ethyl-4-N-propyl-5-(trifluoromethyl)cyclonona-5,7-diene-1,4-diimine
SMILES[H]/N=C1\C/C=C/C=C(C(F)(F)F)\C(=N\CCC)CC1CC
InChIInChI=1S/C15H21F3N2/c1-3-9-20-14-10-11(4-2)13(19)8-6-5-7-12(14)15(16,17)18/h5-7,11,19H,3-4,8-10H2,1-2H3/b6-5+,12-7+,19-13+,20-14+
InChIKeyAVZLUPLLEAZGMU-DEUCTRLMSA-N
XLogP4.72
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 54.72
H-Bond Donors ≤ 51
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 (5E,7E)-2-ethyl-4-N-propyl-5-(trifluoromethyl)cyclonona-5,7-diene-1,4-diimine?
The IUPAC name of (5E,7E)-2-ethyl-4-N-propyl-5-(trifluoromethyl)cyclonona-5,7-diene-1,4-diimine (CID 123420437) is (5E,7E)-2-ethyl-4-N-propyl-5-(trifluoromethyl)cyclonona-5,7-diene-1,4-diimine.
What is the SMILES notation for (5E,7E)-2-ethyl-4-N-propyl-5-(trifluoromethyl)cyclonona-5,7-diene-1,4-diimine?
The canonical SMILES for (5E,7E)-2-ethyl-4-N-propyl-5-(trifluoromethyl)cyclonona-5,7-diene-1,4-diimine is [H]/N=C1\C/C=C/C=C(C(F)(F)F)\C(=N\CCC)CC1CC.
What is the InChIKey of (5E,7E)-2-ethyl-4-N-propyl-5-(trifluoromethyl)cyclonona-5,7-diene-1,4-diimine?
The InChIKey is AVZLUPLLEAZGMU-DEUCTRLMSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-3-9-20-14-10-11(4-2)13(19)8-6-5-7-12(14)15(16,17)18/h5-7,11,19H,3-4,8-10H2,1-2H3/b6-5+,12-7+,19-13+,20-14+.
What are the key properties of (5E,7E)-2-ethyl-4-N-propyl-5-(trifluoromethyl)cyclonona-5,7-diene-1,4-diimine?
(5E,7E)-2-ethyl-4-N-propyl-5-(trifluoromethyl)cyclonona-5,7-diene-1,4-diimine has a molecular weight of 286.34 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E)-2-ethyl-4-N-propyl-5-(trifluoromethyl)cyclonona-5,7-diene-1,4-diimine is sourced from PubChem (CID 123420437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).