(1Z,3E)-4-bromo-2-fluoro-N,N-dimethylhexa-1,3,5-trien-1-amine

C8H11BrFN — CID 143981077

IUPAC(1Z,3E)-4-bromo-2-fluoro-N,N-dimethylhexa-1,3,5-trien-1-amine
SMILESC=C/C(Br)=C\C(F)=C\N(C)C
InChIInChI=1S/C8H11BrFN/c1-4-7(9)5-8(10)6-11(2)3/h4-6H,1H2,2-3H3/b7-5+,8-6-
InChIKeyGHTAXHNIQSCAOQ-YMBWGVAGSA-N
MW220.08 g/mol
LogP2.82
Rot. Bonds3

About (1Z,3E)-4-bromo-2-fluoro-N,N-dimethylhexa-1,3,5-trien-1-amine

(1Z,3E)-4-bromo-2-fluoro-N,N-dimethylhexa-1,3,5-trien-1-amine (PubChem CID 143981077) has the molecular formula C8H11BrFN and a molecular weight of 220.08 g/mol. Its IUPAC name is (1Z,3E)-4-bromo-2-fluoro-N,N-dimethylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-4-bromo-2-fluoro-N,N-dimethylhexa-1,3,5-trien-1-amine
PubChem CID143981077
Molecular FormulaC8H11BrFN
Molecular Weight220.08 g/mol
Exact Mass219.01
IUPAC Name(1Z,3E)-4-bromo-2-fluoro-N,N-dimethylhexa-1,3,5-trien-1-amine
SMILESC=C/C(Br)=C\C(F)=C\N(C)C
InChIInChI=1S/C8H11BrFN/c1-4-7(9)5-8(10)6-11(2)3/h4-6H,1H2,2-3H3/b7-5+,8-6-
InChIKeyGHTAXHNIQSCAOQ-YMBWGVAGSA-N
XLogP2.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.08
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-4-bromo-2-fluoro-N,N-dimethylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3E)-4-bromo-2-fluoro-N,N-dimethylhexa-1,3,5-trien-1-amine (CID 143981077) is (1Z,3E)-4-bromo-2-fluoro-N,N-dimethylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3E)-4-bromo-2-fluoro-N,N-dimethylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3E)-4-bromo-2-fluoro-N,N-dimethylhexa-1,3,5-trien-1-amine is C=C/C(Br)=C\C(F)=C\N(C)C.
What is the InChIKey of (1Z,3E)-4-bromo-2-fluoro-N,N-dimethylhexa-1,3,5-trien-1-amine?
The InChIKey is GHTAXHNIQSCAOQ-YMBWGVAGSA-N. The full InChI is InChI=1S/C8H11BrFN/c1-4-7(9)5-8(10)6-11(2)3/h4-6H,1H2,2-3H3/b7-5+,8-6-.
What are the key properties of (1Z,3E)-4-bromo-2-fluoro-N,N-dimethylhexa-1,3,5-trien-1-amine?
(1Z,3E)-4-bromo-2-fluoro-N,N-dimethylhexa-1,3,5-trien-1-amine has a molecular weight of 220.08 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-4-bromo-2-fluoro-N,N-dimethylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 143981077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).