(Z)-N-[(E)-but-1-enyl]-N'-[(2E,3Z)-2-ethylidene-5-(trifluoromethyl)hepta-3,5-dienyl]but-2-enimidamide

C18H25F3N2 — CID 146646548

IUPAC(Z)-N-[(E)-but-1-enyl]-N'-[(2E,3Z)-2-ethylidene-5-(trifluoromethyl)hepta-3,5-dienyl]but-2-enimidamide
SMILESCC=C(/C=C\C(=C/C)C/N=C(\C=C/C)N/C=C/CC)C(F)(F)F
InChIInChI=1S/C18H25F3N2/c1-5-9-13-22-17(10-6-2)23-14-15(7-3)11-12-16(8-4)18(19,20)21/h6-13H,5,14H2,1-4H3,(H,22,23)/b10-6-,12-11-,13-9+,15-7+,16-8?
InChIKeyLMIYLUSPIOLLHL-HYLAPEJZSA-N
MW326.41 g/mol
LogP5.49
Rot. Bonds7

About (Z)-N-[(E)-but-1-enyl]-N'-[(2E,3Z)-2-ethylidene-5-(trifluoromethyl)hepta-3,5-dienyl]but-2-enimidamide

(Z)-N-[(E)-but-1-enyl]-N'-[(2E,3Z)-2-ethylidene-5-(trifluoromethyl)hepta-3,5-dienyl]but-2-enimidamide (PubChem CID 146646548) has the molecular formula C18H25F3N2 and a molecular weight of 326.41 g/mol. Its IUPAC name is (Z)-N-[(E)-but-1-enyl]-N'-[(2E,3Z)-2-ethylidene-5-(trifluoromethyl)hepta-3,5-dienyl]but-2-enimidamide.

Molecular Properties

Compound Name(Z)-N-[(E)-but-1-enyl]-N'-[(2E,3Z)-2-ethylidene-5-(trifluoromethyl)hepta-3,5-dienyl]but-2-enimidamide
PubChem CID146646548
Molecular FormulaC18H25F3N2
Molecular Weight326.41 g/mol
Exact Mass326.20
IUPAC Name(Z)-N-[(E)-but-1-enyl]-N'-[(2E,3Z)-2-ethylidene-5-(trifluoromethyl)hepta-3,5-dienyl]but-2-enimidamide
SMILESCC=C(/C=C\C(=C/C)C/N=C(\C=C/C)N/C=C/CC)C(F)(F)F
InChIInChI=1S/C18H25F3N2/c1-5-9-13-22-17(10-6-2)23-14-15(7-3)11-12-16(8-4)18(19,20)21/h6-13H,5,14H2,1-4H3,(H,22,23)/b10-6-,12-11-,13-9+,15-7+,16-8?
InChIKeyLMIYLUSPIOLLHL-HYLAPEJZSA-N
XLogP5.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.41
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(E)-but-1-enyl]-N'-[(2E,3Z)-2-ethylidene-5-(trifluoromethyl)hepta-3,5-dienyl]but-2-enimidamide?
The IUPAC name of (Z)-N-[(E)-but-1-enyl]-N'-[(2E,3Z)-2-ethylidene-5-(trifluoromethyl)hepta-3,5-dienyl]but-2-enimidamide (CID 146646548) is (Z)-N-[(E)-but-1-enyl]-N'-[(2E,3Z)-2-ethylidene-5-(trifluoromethyl)hepta-3,5-dienyl]but-2-enimidamide.
What is the SMILES notation for (Z)-N-[(E)-but-1-enyl]-N'-[(2E,3Z)-2-ethylidene-5-(trifluoromethyl)hepta-3,5-dienyl]but-2-enimidamide?
The canonical SMILES for (Z)-N-[(E)-but-1-enyl]-N'-[(2E,3Z)-2-ethylidene-5-(trifluoromethyl)hepta-3,5-dienyl]but-2-enimidamide is CC=C(/C=C\C(=C/C)C/N=C(\C=C/C)N/C=C/CC)C(F)(F)F.
What is the InChIKey of (Z)-N-[(E)-but-1-enyl]-N'-[(2E,3Z)-2-ethylidene-5-(trifluoromethyl)hepta-3,5-dienyl]but-2-enimidamide?
The InChIKey is LMIYLUSPIOLLHL-HYLAPEJZSA-N. The full InChI is InChI=1S/C18H25F3N2/c1-5-9-13-22-17(10-6-2)23-14-15(7-3)11-12-16(8-4)18(19,20)21/h6-13H,5,14H2,1-4H3,(H,22,23)/b10-6-,12-11-,13-9+,15-7+,16-8?.
What are the key properties of (Z)-N-[(E)-but-1-enyl]-N'-[(2E,3Z)-2-ethylidene-5-(trifluoromethyl)hepta-3,5-dienyl]but-2-enimidamide?
(Z)-N-[(E)-but-1-enyl]-N'-[(2E,3Z)-2-ethylidene-5-(trifluoromethyl)hepta-3,5-dienyl]but-2-enimidamide has a molecular weight of 326.41 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-but-1-enyl]-N'-[(2E,3Z)-2-ethylidene-5-(trifluoromethyl)hepta-3,5-dienyl]but-2-enimidamide is sourced from PubChem (CID 146646548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).