(2E,4Z)-7,7,7-trifluoro-1-(2-methoxyethoxy)-6-methylhepta-2,4-dien-3-amine

C11H18F3NO2 — CID 154985816

IUPAC(2E,4Z)-7,7,7-trifluoro-1-(2-methoxyethoxy)-6-methylhepta-2,4-dien-3-amine
SMILESCOCCOC/C=C(N)\C=C/C(C)C(F)(F)F
InChIInChI=1S/C11H18F3NO2/c1-9(11(12,13)14)3-4-10(15)5-6-17-8-7-16-2/h3-5,9H,6-8,15H2,1-2H3/b4-3-,10-5+
InChIKeyXGOLAYPQPDQGON-DXWLQBKVSA-N
MW253.26 g/mol
LogP2.25
Rot. Bonds7

About (2E,4Z)-7,7,7-trifluoro-1-(2-methoxyethoxy)-6-methylhepta-2,4-dien-3-amine

(2E,4Z)-7,7,7-trifluoro-1-(2-methoxyethoxy)-6-methylhepta-2,4-dien-3-amine (PubChem CID 154985816) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is (2E,4Z)-7,7,7-trifluoro-1-(2-methoxyethoxy)-6-methylhepta-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-7,7,7-trifluoro-1-(2-methoxyethoxy)-6-methylhepta-2,4-dien-3-amine
PubChem CID154985816
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name(2E,4Z)-7,7,7-trifluoro-1-(2-methoxyethoxy)-6-methylhepta-2,4-dien-3-amine
SMILESCOCCOC/C=C(N)\C=C/C(C)C(F)(F)F
InChIInChI=1S/C11H18F3NO2/c1-9(11(12,13)14)3-4-10(15)5-6-17-8-7-16-2/h3-5,9H,6-8,15H2,1-2H3/b4-3-,10-5+
InChIKeyXGOLAYPQPDQGON-DXWLQBKVSA-N
XLogP2.25
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E,4Z)-7,7,7-trifluoro-1-(2-methoxyethoxy)-6-methylhepta-2,4-dien-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

Related Compounds

Ethane;2-(2-methoxyethoxy)-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine
CID 143086038
(2Z,4E,6Z)-6-ethoxy-8,8,9-trifluoronona-2,4,6-trien-4-amine
CID 155442227
(2Z,4E)-9,9,9-trifluoro-6-(2-methoxyethoxy)nona-2,4,7-trien-4-amine
CID 166651325
2-(2-Methoxyethoxy)-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine
CID 143086039

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-7,7,7-trifluoro-1-(2-methoxyethoxy)-6-methylhepta-2,4-dien-3-amine?
The IUPAC name of (2E,4Z)-7,7,7-trifluoro-1-(2-methoxyethoxy)-6-methylhepta-2,4-dien-3-amine (CID 154985816) is (2E,4Z)-7,7,7-trifluoro-1-(2-methoxyethoxy)-6-methylhepta-2,4-dien-3-amine.
What is the SMILES notation for (2E,4Z)-7,7,7-trifluoro-1-(2-methoxyethoxy)-6-methylhepta-2,4-dien-3-amine?
The canonical SMILES for (2E,4Z)-7,7,7-trifluoro-1-(2-methoxyethoxy)-6-methylhepta-2,4-dien-3-amine is COCCOC/C=C(N)\C=C/C(C)C(F)(F)F.
What is the InChIKey of (2E,4Z)-7,7,7-trifluoro-1-(2-methoxyethoxy)-6-methylhepta-2,4-dien-3-amine?
The InChIKey is XGOLAYPQPDQGON-DXWLQBKVSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-9(11(12,13)14)3-4-10(15)5-6-17-8-7-16-2/h3-5,9H,6-8,15H2,1-2H3/b4-3-,10-5+.
What are the key properties of (2E,4Z)-7,7,7-trifluoro-1-(2-methoxyethoxy)-6-methylhepta-2,4-dien-3-amine?
(2E,4Z)-7,7,7-trifluoro-1-(2-methoxyethoxy)-6-methylhepta-2,4-dien-3-amine has a molecular weight of 253.26 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-7,7,7-trifluoro-1-(2-methoxyethoxy)-6-methylhepta-2,4-dien-3-amine is sourced from PubChem (CID 154985816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).