(2Z,4E)-3-fluoro-5-methoxyhexa-2,4-dien-2-amine

C7H12FNO — CID 156566216

IUPAC(2Z,4E)-3-fluoro-5-methoxyhexa-2,4-dien-2-amine
SMILESCO/C(C)=C/C(F)=C(\C)N
InChIInChI=1S/C7H12FNO/c1-5(10-3)4-7(8)6(2)9/h4H,9H2,1-3H3/b5-4+,7-6-
InChIKeyKDXNQZYCUHKZGX-DEQVHDEQSA-N
MW145.18 g/mol
LogP1.70
Rot. Bonds2

About (2Z,4E)-3-fluoro-5-methoxyhexa-2,4-dien-2-amine

(2Z,4E)-3-fluoro-5-methoxyhexa-2,4-dien-2-amine (PubChem CID 156566216) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is (2Z,4E)-3-fluoro-5-methoxyhexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4E)-3-fluoro-5-methoxyhexa-2,4-dien-2-amine
PubChem CID156566216
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name(2Z,4E)-3-fluoro-5-methoxyhexa-2,4-dien-2-amine
SMILESCO/C(C)=C/C(F)=C(\C)N
InChIInChI=1S/C7H12FNO/c1-5(10-3)4-7(8)6(2)9/h4H,9H2,1-3H3/b5-4+,7-6-
InChIKeyKDXNQZYCUHKZGX-DEQVHDEQSA-N
XLogP1.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.70
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)-3-fluoro-5-methoxyhexa-2,4-dien-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)-3-fluoro-5-methoxyhexa-2,4-dien-2-amine?
The IUPAC name of (2Z,4E)-3-fluoro-5-methoxyhexa-2,4-dien-2-amine (CID 156566216) is (2Z,4E)-3-fluoro-5-methoxyhexa-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4E)-3-fluoro-5-methoxyhexa-2,4-dien-2-amine?
The canonical SMILES for (2Z,4E)-3-fluoro-5-methoxyhexa-2,4-dien-2-amine is CO/C(C)=C/C(F)=C(\C)N.
What is the InChIKey of (2Z,4E)-3-fluoro-5-methoxyhexa-2,4-dien-2-amine?
The InChIKey is KDXNQZYCUHKZGX-DEQVHDEQSA-N. The full InChI is InChI=1S/C7H12FNO/c1-5(10-3)4-7(8)6(2)9/h4H,9H2,1-3H3/b5-4+,7-6-.
What are the key properties of (2Z,4E)-3-fluoro-5-methoxyhexa-2,4-dien-2-amine?
(2Z,4E)-3-fluoro-5-methoxyhexa-2,4-dien-2-amine has a molecular weight of 145.18 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-3-fluoro-5-methoxyhexa-2,4-dien-2-amine is sourced from PubChem (CID 156566216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).