(3E)-4-[3-(trifluoromethyl)phenyl]hexa-3,5-dien-2-imine

C13H12F3N — CID 162594183

IUPAC(3E)-4-[3-(trifluoromethyl)phenyl]hexa-3,5-dien-2-imine
SMILES[H]/N=C(C)/C=C(\C=C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H12F3N/c1-3-10(7-9(2)17)11-5-4-6-12(8-11)13(14,15)16/h3-8,17H,1H2,2H3/b10-7+,17-9+
InChIKeyNABGNMZXPXKNMJ-ZIZOMIGWSA-N
MW239.24 g/mol
LogP4.31
Rot. Bonds3

About (3E)-4-[3-(trifluoromethyl)phenyl]hexa-3,5-dien-2-imine

(3E)-4-[3-(trifluoromethyl)phenyl]hexa-3,5-dien-2-imine (PubChem CID 162594183) has the molecular formula C13H12F3N and a molecular weight of 239.24 g/mol. Its IUPAC name is (3E)-4-[3-(trifluoromethyl)phenyl]hexa-3,5-dien-2-imine.

Molecular Properties

Compound Name(3E)-4-[3-(trifluoromethyl)phenyl]hexa-3,5-dien-2-imine
PubChem CID162594183
Molecular FormulaC13H12F3N
Molecular Weight239.24 g/mol
Exact Mass239.09
IUPAC Name(3E)-4-[3-(trifluoromethyl)phenyl]hexa-3,5-dien-2-imine
SMILES[H]/N=C(C)/C=C(\C=C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H12F3N/c1-3-10(7-9(2)17)11-5-4-6-12(8-11)13(14,15)16/h3-8,17H,1H2,2H3/b10-7+,17-9+
InChIKeyNABGNMZXPXKNMJ-ZIZOMIGWSA-N
XLogP4.31
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E)-4-[3-(trifluoromethyl)phenyl]hexa-3,5-dien-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(trifluoromethyl)benzenecarboximidamide;hydrochloride
CID 2730243
1-[(3E,5Z)-octa-1,3,5-trien-4-yl]-3-(trifluoromethyl)benzene
CID 166855001
2-methyl-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 79190473
2-[3-(trifluoromethyl)phenyl]prop-2-enal
CID 117266827
(Z)-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]but-2-en-1-one
CID 67946359
2-methylprop-2-enyl 3-(trifluoromethyl)benzoate
CID 78789073
1-[(E)-but-2-en-2-yl]-3-[(3E)-penta-1,3-dien-3-yl]benzene
CID 145141155
1-(3-tert-butylphenyl)ethanimine
CID 175635201
ethane;(2E,4E,6E)-4-ethenyl-3-ethyl-2-(methylamino)-6-[3-(trifluoromethyl)phenyl]octa-2,4,6-trienenitrile
CID 144776362
[[3-(trifluoromethyl)benzoyl]amino] acetate
CID 87589767
(Z)-3-hydroxy-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 54704246
pent-1-ene;3-(trifluoromethyl)benzamide
CID 174337968

Frequently Asked Questions

What is the IUPAC name of (3E)-4-[3-(trifluoromethyl)phenyl]hexa-3,5-dien-2-imine?
The IUPAC name of (3E)-4-[3-(trifluoromethyl)phenyl]hexa-3,5-dien-2-imine (CID 162594183) is (3E)-4-[3-(trifluoromethyl)phenyl]hexa-3,5-dien-2-imine.
What is the SMILES notation for (3E)-4-[3-(trifluoromethyl)phenyl]hexa-3,5-dien-2-imine?
The canonical SMILES for (3E)-4-[3-(trifluoromethyl)phenyl]hexa-3,5-dien-2-imine is [H]/N=C(C)/C=C(\C=C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (3E)-4-[3-(trifluoromethyl)phenyl]hexa-3,5-dien-2-imine?
The InChIKey is NABGNMZXPXKNMJ-ZIZOMIGWSA-N. The full InChI is InChI=1S/C13H12F3N/c1-3-10(7-9(2)17)11-5-4-6-12(8-11)13(14,15)16/h3-8,17H,1H2,2H3/b10-7+,17-9+.
What are the key properties of (3E)-4-[3-(trifluoromethyl)phenyl]hexa-3,5-dien-2-imine?
(3E)-4-[3-(trifluoromethyl)phenyl]hexa-3,5-dien-2-imine has a molecular weight of 239.24 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-[3-(trifluoromethyl)phenyl]hexa-3,5-dien-2-imine is sourced from PubChem (CID 162594183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).