N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine

C8H10F3N — CID 123408100

IUPACN,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine
SMILESC=C(C)C=C(/C=N/C)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-6(2)4-7(5-12-3)8(9,10)11/h4-5H,1H2,2-3H3/b7-4?,12-5+
InChIKeyZTGNEDMJFNJDFS-PXDAUENDSA-N
MW177.17 g/mol
LogP2.75
Rot. Bonds2

About N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine

N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine (PubChem CID 123408100) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine.

Molecular Properties

Compound NameN,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine
PubChem CID123408100
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC NameN,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine
SMILESC=C(C)C=C(/C=N/C)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-6(2)4-7(5-12-3)8(9,10)11/h4-5H,1H2,2-3H3/b7-4?,12-5+
InChIKeyZTGNEDMJFNJDFS-PXDAUENDSA-N
XLogP2.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine?
The IUPAC name of N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine (CID 123408100) is N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine.
What is the SMILES notation for N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine?
The canonical SMILES for N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine is C=C(C)C=C(/C=N/C)C(F)(F)F.
What is the InChIKey of N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine?
The InChIKey is ZTGNEDMJFNJDFS-PXDAUENDSA-N. The full InChI is InChI=1S/C8H10F3N/c1-6(2)4-7(5-12-3)8(9,10)11/h4-5H,1H2,2-3H3/b7-4?,12-5+.
What are the key properties of N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine?
N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine has a molecular weight of 177.17 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine is sourced from PubChem (CID 123408100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).