1-(4-bromophenyl)-1-fluoroethanamine

C8H9BrFN — CID 174736634

IUPAC1-(4-bromophenyl)-1-fluoroethanamine
SMILESCC(N)(F)c1ccc(Br)cc1
InChIInChI=1S/C8H9BrFN/c1-8(10,11)6-2-4-7(9)5-3-6/h2-5H,11H2,1H3
InChIKeyKGXAMTXEAUUJAF-UHFFFAOYSA-N
MW218.07 g/mol
LogP2.55
Rot. Bonds1

About 1-(4-bromophenyl)-1-fluoroethanamine

1-(4-bromophenyl)-1-fluoroethanamine (PubChem CID 174736634) has the molecular formula C8H9BrFN and a molecular weight of 218.07 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-fluoroethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-fluoroethanamine
PubChem CID174736634
Molecular FormulaC8H9BrFN
Molecular Weight218.07 g/mol
Exact Mass216.99
IUPAC Name1-(4-bromophenyl)-1-fluoroethanamine
SMILESCC(N)(F)c1ccc(Br)cc1
InChIInChI=1S/C8H9BrFN/c1-8(10,11)6-2-4-7(9)5-3-6/h2-5H,11H2,1H3
InChIKeyKGXAMTXEAUUJAF-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.07
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-fluoroethanamine?
The IUPAC name of 1-(4-bromophenyl)-1-fluoroethanamine (CID 174736634) is 1-(4-bromophenyl)-1-fluoroethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-1-fluoroethanamine?
The canonical SMILES for 1-(4-bromophenyl)-1-fluoroethanamine is CC(N)(F)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-1-fluoroethanamine?
The InChIKey is KGXAMTXEAUUJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFN/c1-8(10,11)6-2-4-7(9)5-3-6/h2-5H,11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-1-fluoroethanamine?
1-(4-bromophenyl)-1-fluoroethanamine has a molecular weight of 218.07 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-fluoroethanamine is sourced from PubChem (CID 174736634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).