(1Z,3E,5E)-5-bromo-4-fluoro-3-methylhepta-1,3,5-trien-1-amine

C8H11BrFN — CID 166657681

IUPAC(1Z,3E,5E)-5-bromo-4-fluoro-3-methylhepta-1,3,5-trien-1-amine
SMILESC/C=C(Br)\C(F)=C(C)/C=C\N
InChIInChI=1S/C8H11BrFN/c1-3-7(9)8(10)6(2)4-5-11/h3-5H,11H2,1-2H3/b5-4-,7-3+,8-6+
InChIKeyKNWGFNXTTQBGKY-GZRIGISUSA-N
MW220.09 g/mol
LogP3.00
Rot. Bonds2

About (1Z,3E,5E)-5-bromo-4-fluoro-3-methylhepta-1,3,5-trien-1-amine

(1Z,3E,5E)-5-bromo-4-fluoro-3-methylhepta-1,3,5-trien-1-amine (PubChem CID 166657681) has the molecular formula C8H11BrFN and a molecular weight of 220.09 g/mol. Its IUPAC name is (1Z,3E,5E)-5-bromo-4-fluoro-3-methylhepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3E,5E)-5-bromo-4-fluoro-3-methylhepta-1,3,5-trien-1-amine
PubChem CID166657681
Molecular FormulaC8H11BrFN
Molecular Weight220.09 g/mol
Exact Mass219.01
IUPAC Name(1Z,3E,5E)-5-bromo-4-fluoro-3-methylhepta-1,3,5-trien-1-amine
SMILESC/C=C(Br)\C(F)=C(C)/C=C\N
InChIInChI=1S/C8H11BrFN/c1-3-7(9)8(10)6(2)4-5-11/h3-5H,11H2,1-2H3/b5-4-,7-3+,8-6+
InChIKeyKNWGFNXTTQBGKY-GZRIGISUSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.09
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1Z,3E,5E)-5-bromo-4-fluoro-3-methylhepta-1,3,5-trien-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 (1Z,3E,5E)-5-bromo-4-fluoro-3-methylhepta-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3E,5E)-5-bromo-4-fluoro-3-methylhepta-1,3,5-trien-1-amine (CID 166657681) is (1Z,3E,5E)-5-bromo-4-fluoro-3-methylhepta-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3E,5E)-5-bromo-4-fluoro-3-methylhepta-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3E,5E)-5-bromo-4-fluoro-3-methylhepta-1,3,5-trien-1-amine is C/C=C(Br)\C(F)=C(C)/C=C\N.
What is the InChIKey of (1Z,3E,5E)-5-bromo-4-fluoro-3-methylhepta-1,3,5-trien-1-amine?
The InChIKey is KNWGFNXTTQBGKY-GZRIGISUSA-N. The full InChI is InChI=1S/C8H11BrFN/c1-3-7(9)8(10)6(2)4-5-11/h3-5H,11H2,1-2H3/b5-4-,7-3+,8-6+.
What are the key properties of (1Z,3E,5E)-5-bromo-4-fluoro-3-methylhepta-1,3,5-trien-1-amine?
(1Z,3E,5E)-5-bromo-4-fluoro-3-methylhepta-1,3,5-trien-1-amine has a molecular weight of 220.09 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,5E)-5-bromo-4-fluoro-3-methylhepta-1,3,5-trien-1-amine is sourced from PubChem (CID 166657681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).