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

C8H12FNO — CID 143415585

IUPAC(2E,4E)-1-fluoro-5-methoxyhepta-2,4,6-trien-2-amine
SMILESC=C/C(=C\C=C(\N)CF)OC
InChIInChI=1S/C8H12FNO/c1-3-8(11-2)5-4-7(10)6-9/h3-5H,1,6,10H2,2H3/b7-4+,8-5+
InChIKeyDYMOEZDOZCKHFF-NSLJXJERSA-N
MW157.19 g/mol
LogP1.51
Rot. Bonds4

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

(2E,4E)-1-fluoro-5-methoxyhepta-2,4,6-trien-2-amine (PubChem CID 143415585) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is (2E,4E)-1-fluoro-5-methoxyhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4E)-1-fluoro-5-methoxyhepta-2,4,6-trien-2-amine
PubChem CID143415585
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name(2E,4E)-1-fluoro-5-methoxyhepta-2,4,6-trien-2-amine
SMILESC=C/C(=C\C=C(\N)CF)OC
InChIInChI=1S/C8H12FNO/c1-3-8(11-2)5-4-7(10)6-9/h3-5H,1,6,10H2,2H3/b7-4+,8-5+
InChIKeyDYMOEZDOZCKHFF-NSLJXJERSA-N
XLogP1.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.51
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 (2E,4E)-1-fluoro-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 (2E,4E)-1-fluoro-5-methoxyhepta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4E)-1-fluoro-5-methoxyhepta-2,4,6-trien-2-amine (CID 143415585) is (2E,4E)-1-fluoro-5-methoxyhepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4E)-1-fluoro-5-methoxyhepta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4E)-1-fluoro-5-methoxyhepta-2,4,6-trien-2-amine is C=C/C(=C\C=C(\N)CF)OC.
What is the InChIKey of (2E,4E)-1-fluoro-5-methoxyhepta-2,4,6-trien-2-amine?
The InChIKey is DYMOEZDOZCKHFF-NSLJXJERSA-N. The full InChI is InChI=1S/C8H12FNO/c1-3-8(11-2)5-4-7(10)6-9/h3-5H,1,6,10H2,2H3/b7-4+,8-5+.
What are the key properties of (2E,4E)-1-fluoro-5-methoxyhepta-2,4,6-trien-2-amine?
(2E,4E)-1-fluoro-5-methoxyhepta-2,4,6-trien-2-amine has a molecular weight of 157.19 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-fluoro-5-methoxyhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 143415585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).