(2E,4E)-5-(dimethylamino)-2-(trifluoromethyl)penta-2,4-dienenitrile

C8H9F3N2 — CID 162754087

IUPAC(2E,4E)-5-(dimethylamino)-2-(trifluoromethyl)penta-2,4-dienenitrile
SMILESCN(C)/C=C/C=C(\C#N)C(F)(F)F
InChIInChI=1S/C8H9F3N2/c1-13(2)5-3-4-7(6-12)8(9,10)11/h3-5H,1-2H3/b5-3+,7-4+
InChIKeyQJSYEEJHIZGCJP-HJIKTHEYSA-N
MW190.17 g/mol
LogP2.07
Rot. Bonds2

About (2E,4E)-5-(dimethylamino)-2-(trifluoromethyl)penta-2,4-dienenitrile

(2E,4E)-5-(dimethylamino)-2-(trifluoromethyl)penta-2,4-dienenitrile (PubChem CID 162754087) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is (2E,4E)-5-(dimethylamino)-2-(trifluoromethyl)penta-2,4-dienenitrile.

Molecular Properties

Compound Name(2E,4E)-5-(dimethylamino)-2-(trifluoromethyl)penta-2,4-dienenitrile
PubChem CID162754087
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name(2E,4E)-5-(dimethylamino)-2-(trifluoromethyl)penta-2,4-dienenitrile
SMILESCN(C)/C=C/C=C(\C#N)C(F)(F)F
InChIInChI=1S/C8H9F3N2/c1-13(2)5-3-4-7(6-12)8(9,10)11/h3-5H,1-2H3/b5-3+,7-4+
InChIKeyQJSYEEJHIZGCJP-HJIKTHEYSA-N
XLogP2.07
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(dimethylamino)-2-(trifluoromethyl)penta-2,4-dienenitrile?
The IUPAC name of (2E,4E)-5-(dimethylamino)-2-(trifluoromethyl)penta-2,4-dienenitrile (CID 162754087) is (2E,4E)-5-(dimethylamino)-2-(trifluoromethyl)penta-2,4-dienenitrile.
What is the SMILES notation for (2E,4E)-5-(dimethylamino)-2-(trifluoromethyl)penta-2,4-dienenitrile?
The canonical SMILES for (2E,4E)-5-(dimethylamino)-2-(trifluoromethyl)penta-2,4-dienenitrile is CN(C)/C=C/C=C(\C#N)C(F)(F)F.
What is the InChIKey of (2E,4E)-5-(dimethylamino)-2-(trifluoromethyl)penta-2,4-dienenitrile?
The InChIKey is QJSYEEJHIZGCJP-HJIKTHEYSA-N. The full InChI is InChI=1S/C8H9F3N2/c1-13(2)5-3-4-7(6-12)8(9,10)11/h3-5H,1-2H3/b5-3+,7-4+.
What are the key properties of (2E,4E)-5-(dimethylamino)-2-(trifluoromethyl)penta-2,4-dienenitrile?
(2E,4E)-5-(dimethylamino)-2-(trifluoromethyl)penta-2,4-dienenitrile has a molecular weight of 190.17 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(dimethylamino)-2-(trifluoromethyl)penta-2,4-dienenitrile is sourced from PubChem (CID 162754087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).