(2Z,4E)-1,1,1-trifluoro-5-methoxyhepta-2,4,6-trien-2-amine

C8H10F3NO — CID 154006651

IUPAC(2Z,4E)-1,1,1-trifluoro-5-methoxyhepta-2,4,6-trien-2-amine
SMILESC=C/C(=C\C=C(/N)C(F)(F)F)OC
InChIInChI=1S/C8H10F3NO/c1-3-6(13-2)4-5-7(12)8(9,10)11/h3-5H,1,12H2,2H3/b6-4+,7-5-
InChIKeyRVRXEGWGPFSYBR-GUBXDBFYSA-N
MW193.17 g/mol
LogP2.11
Rot. Bonds3

About (2Z,4E)-1,1,1-trifluoro-5-methoxyhepta-2,4,6-trien-2-amine

(2Z,4E)-1,1,1-trifluoro-5-methoxyhepta-2,4,6-trien-2-amine (PubChem CID 154006651) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is (2Z,4E)-1,1,1-trifluoro-5-methoxyhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2Z,4E)-1,1,1-trifluoro-5-methoxyhepta-2,4,6-trien-2-amine
PubChem CID154006651
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name(2Z,4E)-1,1,1-trifluoro-5-methoxyhepta-2,4,6-trien-2-amine
SMILESC=C/C(=C\C=C(/N)C(F)(F)F)OC
InChIInChI=1S/C8H10F3NO/c1-3-6(13-2)4-5-7(12)8(9,10)11/h3-5H,1,12H2,2H3/b6-4+,7-5-
InChIKeyRVRXEGWGPFSYBR-GUBXDBFYSA-N
XLogP2.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.11
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 (2Z,4E)-1,1,1-trifluoro-5-methoxyhepta-2,4,6-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 (2Z,4E)-1,1,1-trifluoro-5-methoxyhepta-2,4,6-trien-2-amine?
The IUPAC name of (2Z,4E)-1,1,1-trifluoro-5-methoxyhepta-2,4,6-trien-2-amine (CID 154006651) is (2Z,4E)-1,1,1-trifluoro-5-methoxyhepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2Z,4E)-1,1,1-trifluoro-5-methoxyhepta-2,4,6-trien-2-amine?
The canonical SMILES for (2Z,4E)-1,1,1-trifluoro-5-methoxyhepta-2,4,6-trien-2-amine is C=C/C(=C\C=C(/N)C(F)(F)F)OC.
What is the InChIKey of (2Z,4E)-1,1,1-trifluoro-5-methoxyhepta-2,4,6-trien-2-amine?
The InChIKey is RVRXEGWGPFSYBR-GUBXDBFYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-3-6(13-2)4-5-7(12)8(9,10)11/h3-5H,1,12H2,2H3/b6-4+,7-5-.
What are the key properties of (2Z,4E)-1,1,1-trifluoro-5-methoxyhepta-2,4,6-trien-2-amine?
(2Z,4E)-1,1,1-trifluoro-5-methoxyhepta-2,4,6-trien-2-amine has a molecular weight of 193.17 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-1,1,1-trifluoro-5-methoxyhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 154006651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).