(2E,4E)-4-fluoro-3-methoxyhexa-2,4-dien-1-amine

C7H12FNO — CID 138711289

IUPAC(2E,4E)-4-fluoro-3-methoxyhexa-2,4-dien-1-amine
SMILESC/C=C(F)\C(=C/CN)OC
InChIInChI=1S/C7H12FNO/c1-3-6(8)7(10-2)4-5-9/h3-4H,5,9H2,1-2H3/b6-3+,7-4+
InChIKeyLCDZXOWNJWAIRT-XOKGJFMYSA-N
MW145.18 g/mol
LogP1.35
Rot. Bonds3

About (2E,4E)-4-fluoro-3-methoxyhexa-2,4-dien-1-amine

(2E,4E)-4-fluoro-3-methoxyhexa-2,4-dien-1-amine (PubChem CID 138711289) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is (2E,4E)-4-fluoro-3-methoxyhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-4-fluoro-3-methoxyhexa-2,4-dien-1-amine
PubChem CID138711289
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name(2E,4E)-4-fluoro-3-methoxyhexa-2,4-dien-1-amine
SMILESC/C=C(F)\C(=C/CN)OC
InChIInChI=1S/C7H12FNO/c1-3-6(8)7(10-2)4-5-9/h3-4H,5,9H2,1-2H3/b6-3+,7-4+
InChIKeyLCDZXOWNJWAIRT-XOKGJFMYSA-N
XLogP1.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.35
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)-4-fluoro-3-methoxyhexa-2,4-dien-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 (2E,4E)-4-fluoro-3-methoxyhexa-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-4-fluoro-3-methoxyhexa-2,4-dien-1-amine (CID 138711289) is (2E,4E)-4-fluoro-3-methoxyhexa-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-4-fluoro-3-methoxyhexa-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-4-fluoro-3-methoxyhexa-2,4-dien-1-amine is C/C=C(F)\C(=C/CN)OC.
What is the InChIKey of (2E,4E)-4-fluoro-3-methoxyhexa-2,4-dien-1-amine?
The InChIKey is LCDZXOWNJWAIRT-XOKGJFMYSA-N. The full InChI is InChI=1S/C7H12FNO/c1-3-6(8)7(10-2)4-5-9/h3-4H,5,9H2,1-2H3/b6-3+,7-4+.
What are the key properties of (2E,4E)-4-fluoro-3-methoxyhexa-2,4-dien-1-amine?
(2E,4E)-4-fluoro-3-methoxyhexa-2,4-dien-1-amine has a molecular weight of 145.18 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-fluoro-3-methoxyhexa-2,4-dien-1-amine is sourced from PubChem (CID 138711289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).