N-[4-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine

C7H8F3N — CID 123476058

IUPACN-[4-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine
SMILESC=NC(C)=CC(=C)C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-5(7(8,9)10)4-6(2)11-3/h4H,1,3H2,2H3
InChIKeyZUZJKGOUQMGYRA-UHFFFAOYSA-N
MW163.14 g/mol
LogP2.71
Rot. Bonds2

About N-[4-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine

N-[4-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine (PubChem CID 123476058) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine
PubChem CID123476058
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC NameN-[4-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine
SMILESC=NC(C)=CC(=C)C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-5(7(8,9)10)4-6(2)11-3/h4H,1,3H2,2H3
InChIKeyZUZJKGOUQMGYRA-UHFFFAOYSA-N
XLogP2.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 52.71
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-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine?
The IUPAC name of N-[4-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine (CID 123476058) is N-[4-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[4-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine?
The canonical SMILES for N-[4-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine is C=NC(C)=CC(=C)C(F)(F)F.
What is the InChIKey of N-[4-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine?
The InChIKey is ZUZJKGOUQMGYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N/c1-5(7(8,9)10)4-6(2)11-3/h4H,1,3H2,2H3.
What are the key properties of N-[4-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine?
N-[4-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine has a molecular weight of 163.14 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 123476058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).