(2Z,4E)-3-bromo-5-fluorohepta-2,4-dien-2-amine

C7H11BrFN — CID 89148176

IUPAC(2Z,4E)-3-bromo-5-fluorohepta-2,4-dien-2-amine
SMILESCC/C(F)=C\C(Br)=C(/C)N
InChIInChI=1S/C7H11BrFN/c1-3-6(9)4-7(8)5(2)10/h4H,3,10H2,1-2H3/b6-4+,7-5-
InChIKeyRHSMBJLWSAEIJI-GUBXDBFYSA-N
MW208.07 g/mol
LogP2.83
Rot. Bonds2

About (2Z,4E)-3-bromo-5-fluorohepta-2,4-dien-2-amine

(2Z,4E)-3-bromo-5-fluorohepta-2,4-dien-2-amine (PubChem CID 89148176) has the molecular formula C7H11BrFN and a molecular weight of 208.07 g/mol. Its IUPAC name is (2Z,4E)-3-bromo-5-fluorohepta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4E)-3-bromo-5-fluorohepta-2,4-dien-2-amine
PubChem CID89148176
Molecular FormulaC7H11BrFN
Molecular Weight208.07 g/mol
Exact Mass207.01
IUPAC Name(2Z,4E)-3-bromo-5-fluorohepta-2,4-dien-2-amine
SMILESCC/C(F)=C\C(Br)=C(/C)N
InChIInChI=1S/C7H11BrFN/c1-3-6(9)4-7(8)5(2)10/h4H,3,10H2,1-2H3/b6-4+,7-5-
InChIKeyRHSMBJLWSAEIJI-GUBXDBFYSA-N
XLogP2.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.07
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,4E)-3-bromo-5-fluorohepta-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-bromo-5-fluorohepta-2,4-dien-2-amine?
The IUPAC name of (2Z,4E)-3-bromo-5-fluorohepta-2,4-dien-2-amine (CID 89148176) is (2Z,4E)-3-bromo-5-fluorohepta-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4E)-3-bromo-5-fluorohepta-2,4-dien-2-amine?
The canonical SMILES for (2Z,4E)-3-bromo-5-fluorohepta-2,4-dien-2-amine is CC/C(F)=C\C(Br)=C(/C)N.
What is the InChIKey of (2Z,4E)-3-bromo-5-fluorohepta-2,4-dien-2-amine?
The InChIKey is RHSMBJLWSAEIJI-GUBXDBFYSA-N. The full InChI is InChI=1S/C7H11BrFN/c1-3-6(9)4-7(8)5(2)10/h4H,3,10H2,1-2H3/b6-4+,7-5-.
What are the key properties of (2Z,4E)-3-bromo-5-fluorohepta-2,4-dien-2-amine?
(2Z,4E)-3-bromo-5-fluorohepta-2,4-dien-2-amine has a molecular weight of 208.07 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-3-bromo-5-fluorohepta-2,4-dien-2-amine is sourced from PubChem (CID 89148176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).