(E)-3-(3-bromo-4-fluorophenyl)prop-2-en-1-amine

C9H9BrFN — CID 63969673

IUPAC(E)-3-(3-bromo-4-fluorophenyl)prop-2-en-1-amine
SMILESNC/C=C/c1ccc(F)c(Br)c1
InChIInChI=1S/C9H9BrFN/c10-8-6-7(2-1-5-12)3-4-9(8)11/h1-4,6H,5,12H2/b2-1+
InChIKeyWAWOMSDRKCZMQB-OWOJBTEDSA-N
MW230.08 g/mol
LogP2.56
Rot. Bonds2

About (E)-3-(3-bromo-4-fluorophenyl)prop-2-en-1-amine

(E)-3-(3-bromo-4-fluorophenyl)prop-2-en-1-amine (PubChem CID 63969673) has the molecular formula C9H9BrFN and a molecular weight of 230.08 g/mol. Its IUPAC name is (E)-3-(3-bromo-4-fluorophenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3-bromo-4-fluorophenyl)prop-2-en-1-amine
PubChem CID63969673
Molecular FormulaC9H9BrFN
Molecular Weight230.08 g/mol
Exact Mass228.99
IUPAC Name(E)-3-(3-bromo-4-fluorophenyl)prop-2-en-1-amine
SMILESNC/C=C/c1ccc(F)c(Br)c1
InChIInChI=1S/C9H9BrFN/c10-8-6-7(2-1-5-12)3-4-9(8)11/h1-4,6H,5,12H2/b2-1+
InChIKeyWAWOMSDRKCZMQB-OWOJBTEDSA-N
XLogP2.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.08
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-bromo-4-fluorophenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(3-bromo-4-fluorophenyl)prop-2-en-1-amine (CID 63969673) is (E)-3-(3-bromo-4-fluorophenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(3-bromo-4-fluorophenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(3-bromo-4-fluorophenyl)prop-2-en-1-amine is NC/C=C/c1ccc(F)c(Br)c1.
What is the InChIKey of (E)-3-(3-bromo-4-fluorophenyl)prop-2-en-1-amine?
The InChIKey is WAWOMSDRKCZMQB-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H9BrFN/c10-8-6-7(2-1-5-12)3-4-9(8)11/h1-4,6H,5,12H2/b2-1+.
What are the key properties of (E)-3-(3-bromo-4-fluorophenyl)prop-2-en-1-amine?
(E)-3-(3-bromo-4-fluorophenyl)prop-2-en-1-amine has a molecular weight of 230.08 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-bromo-4-fluorophenyl)prop-2-en-1-amine is sourced from PubChem (CID 63969673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).