N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimine

C8H10F3N — CID 143139877

IUPACN-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimine
SMILESC/C=C\C(=C/N=C/C)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-3-5-7(6-12-4-2)8(9,10)11/h3-6H,1-2H3/b5-3-,7-6+,12-4+
InChIKeyAYQFVTPBWHDZTK-WOCLXLJNSA-N
MW177.17 g/mol
LogP3.10
Rot. Bonds2

About N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimine

N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimine (PubChem CID 143139877) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimine.

Molecular Properties

Compound NameN-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimine
PubChem CID143139877
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC NameN-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimine
SMILESC/C=C\C(=C/N=C/C)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-3-5-7(6-12-4-2)8(9,10)11/h3-6H,1-2H3/b5-3-,7-6+,12-4+
InChIKeyAYQFVTPBWHDZTK-WOCLXLJNSA-N
XLogP3.10
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 ≤ 53.10
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-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimine?
The IUPAC name of N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimine (CID 143139877) is N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimine.
What is the SMILES notation for N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimine?
The canonical SMILES for N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimine is C/C=C\C(=C/N=C/C)C(F)(F)F.
What is the InChIKey of N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimine?
The InChIKey is AYQFVTPBWHDZTK-WOCLXLJNSA-N. The full InChI is InChI=1S/C8H10F3N/c1-3-5-7(6-12-4-2)8(9,10)11/h3-6H,1-2H3/b5-3-,7-6+,12-4+.
What are the key properties of N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimine?
N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimine has a molecular weight of 177.17 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimine is sourced from PubChem (CID 143139877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).