(3E)-2-(trifluoromethyl)hexa-1,3,5-trien-3-amine

C7H8F3N — CID 89153824

IUPAC(3E)-2-(trifluoromethyl)hexa-1,3,5-trien-3-amine
SMILESC=C/C=C(/N)C(=C)C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-3-4-6(11)5(2)7(8,9)10/h3-4H,1-2,11H2/b6-4+
InChIKeyQYJOIFPEPHLZDV-GQCTYLIASA-N
MW163.14 g/mol
LogP2.13
Rot. Bonds2

About (3E)-2-(trifluoromethyl)hexa-1,3,5-trien-3-amine

(3E)-2-(trifluoromethyl)hexa-1,3,5-trien-3-amine (PubChem CID 89153824) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is (3E)-2-(trifluoromethyl)hexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E)-2-(trifluoromethyl)hexa-1,3,5-trien-3-amine
PubChem CID89153824
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name(3E)-2-(trifluoromethyl)hexa-1,3,5-trien-3-amine
SMILESC=C/C=C(/N)C(=C)C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-3-4-6(11)5(2)7(8,9)10/h3-4H,1-2,11H2/b6-4+
InChIKeyQYJOIFPEPHLZDV-GQCTYLIASA-N
XLogP2.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E)-2-(trifluoromethyl)hexa-1,3,5-trien-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E)-2-(trifluoromethyl)hexa-1,3,5-trien-3-amine?
The IUPAC name of (3E)-2-(trifluoromethyl)hexa-1,3,5-trien-3-amine (CID 89153824) is (3E)-2-(trifluoromethyl)hexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3E)-2-(trifluoromethyl)hexa-1,3,5-trien-3-amine?
The canonical SMILES for (3E)-2-(trifluoromethyl)hexa-1,3,5-trien-3-amine is C=C/C=C(/N)C(=C)C(F)(F)F.
What is the InChIKey of (3E)-2-(trifluoromethyl)hexa-1,3,5-trien-3-amine?
The InChIKey is QYJOIFPEPHLZDV-GQCTYLIASA-N. The full InChI is InChI=1S/C7H8F3N/c1-3-4-6(11)5(2)7(8,9)10/h3-4H,1-2,11H2/b6-4+.
What are the key properties of (3E)-2-(trifluoromethyl)hexa-1,3,5-trien-3-amine?
(3E)-2-(trifluoromethyl)hexa-1,3,5-trien-3-amine has a molecular weight of 163.14 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-(trifluoromethyl)hexa-1,3,5-trien-3-amine is sourced from PubChem (CID 89153824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).