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

C8H10F3N — CID 89189756

IUPAC(1Z,3Z)-2-methyl-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine
SMILESC=C(/C=C\C(C)=C/N)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-6(5-12)3-4-7(2)8(9,10)11/h3-5H,2,12H2,1H3/b4-3-,6-5-
InChIKeyOYSIVBGENMBVDJ-OUPQRBNQSA-N
MW177.17 g/mol
LogP2.52
Rot. Bonds2

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

(1Z,3Z)-2-methyl-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine (PubChem CID 89189756) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is (1Z,3Z)-2-methyl-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-2-methyl-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine
PubChem CID89189756
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name(1Z,3Z)-2-methyl-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine
SMILESC=C(/C=C\C(C)=C/N)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-6(5-12)3-4-7(2)8(9,10)11/h3-5H,2,12H2,1H3/b4-3-,6-5-
InChIKeyOYSIVBGENMBVDJ-OUPQRBNQSA-N
XLogP2.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1Z,3Z)-2-methyl-5-(trifluoromethyl)hexa-1,3,5-trien-1-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 (1Z,3Z)-2-methyl-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-2-methyl-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine (CID 89189756) is (1Z,3Z)-2-methyl-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-2-methyl-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-2-methyl-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine is C=C(/C=C\C(C)=C/N)C(F)(F)F.
What is the InChIKey of (1Z,3Z)-2-methyl-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine?
The InChIKey is OYSIVBGENMBVDJ-OUPQRBNQSA-N. The full InChI is InChI=1S/C8H10F3N/c1-6(5-12)3-4-7(2)8(9,10)11/h3-5H,2,12H2,1H3/b4-3-,6-5-.
What are the key properties of (1Z,3Z)-2-methyl-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine?
(1Z,3Z)-2-methyl-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine has a molecular weight of 177.17 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-2-methyl-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89189756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).