(3E,5Z)-3-methyl-7-(trifluoromethoxy)octa-3,5,7-trien-2-amine

C10H14F3NO — CID 162578637

IUPAC(3E,5Z)-3-methyl-7-(trifluoromethoxy)octa-3,5,7-trien-2-amine
SMILESC=C(/C=C\C=C(/C)C(C)N)OC(F)(F)F
InChIInChI=1S/C10H14F3NO/c1-7(9(3)14)5-4-6-8(2)15-10(11,12)13/h4-6,9H,2,14H2,1,3H3/b6-4-,7-5+
InChIKeyNSDVPJRGTBQAQD-XGXWUAJZSA-N
MW221.22 g/mol
LogP2.89
Rot. Bonds4

About (3E,5Z)-3-methyl-7-(trifluoromethoxy)octa-3,5,7-trien-2-amine

(3E,5Z)-3-methyl-7-(trifluoromethoxy)octa-3,5,7-trien-2-amine (PubChem CID 162578637) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is (3E,5Z)-3-methyl-7-(trifluoromethoxy)octa-3,5,7-trien-2-amine.

Molecular Properties

Compound Name(3E,5Z)-3-methyl-7-(trifluoromethoxy)octa-3,5,7-trien-2-amine
PubChem CID162578637
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name(3E,5Z)-3-methyl-7-(trifluoromethoxy)octa-3,5,7-trien-2-amine
SMILESC=C(/C=C\C=C(/C)C(C)N)OC(F)(F)F
InChIInChI=1S/C10H14F3NO/c1-7(9(3)14)5-4-6-8(2)15-10(11,12)13/h4-6,9H,2,14H2,1,3H3/b6-4-,7-5+
InChIKeyNSDVPJRGTBQAQD-XGXWUAJZSA-N
XLogP2.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3E,5Z)-3-methyl-7-(trifluoromethoxy)octa-3,5,7-trien-2-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,5Z)-3-methyl-7-(trifluoromethoxy)octa-3,5,7-trien-2-amine?
The IUPAC name of (3E,5Z)-3-methyl-7-(trifluoromethoxy)octa-3,5,7-trien-2-amine (CID 162578637) is (3E,5Z)-3-methyl-7-(trifluoromethoxy)octa-3,5,7-trien-2-amine.
What is the SMILES notation for (3E,5Z)-3-methyl-7-(trifluoromethoxy)octa-3,5,7-trien-2-amine?
The canonical SMILES for (3E,5Z)-3-methyl-7-(trifluoromethoxy)octa-3,5,7-trien-2-amine is C=C(/C=C\C=C(/C)C(C)N)OC(F)(F)F.
What is the InChIKey of (3E,5Z)-3-methyl-7-(trifluoromethoxy)octa-3,5,7-trien-2-amine?
The InChIKey is NSDVPJRGTBQAQD-XGXWUAJZSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-7(9(3)14)5-4-6-8(2)15-10(11,12)13/h4-6,9H,2,14H2,1,3H3/b6-4-,7-5+.
What are the key properties of (3E,5Z)-3-methyl-7-(trifluoromethoxy)octa-3,5,7-trien-2-amine?
(3E,5Z)-3-methyl-7-(trifluoromethoxy)octa-3,5,7-trien-2-amine has a molecular weight of 221.22 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-methyl-7-(trifluoromethoxy)octa-3,5,7-trien-2-amine is sourced from PubChem (CID 162578637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).