(3-bromophenyl)-(4-fluorophenyl)methanimine

C13H9BrFN — CID 87177690

IUPAC(3-bromophenyl)-(4-fluorophenyl)methanimine
SMILES[H]/N=C(\c1ccc(F)cc1)c1cccc(Br)c1
InChIInChI=1S/C13H9BrFN/c14-11-3-1-2-10(8-11)13(16)9-4-6-12(15)7-5-9/h1-8,16H/b16-13+
InChIKeyGOTKBRYINSGFDF-DTQAZKPQSA-N
MW278.12 g/mol
LogP4.00
Rot. Bonds2

About (3-bromophenyl)-(4-fluorophenyl)methanimine

(3-bromophenyl)-(4-fluorophenyl)methanimine (PubChem CID 87177690) has the molecular formula C13H9BrFN and a molecular weight of 278.12 g/mol. Its IUPAC name is (3-bromophenyl)-(4-fluorophenyl)methanimine.

Molecular Properties

Compound Name(3-bromophenyl)-(4-fluorophenyl)methanimine
PubChem CID87177690
Molecular FormulaC13H9BrFN
Molecular Weight278.12 g/mol
Exact Mass276.99
IUPAC Name(3-bromophenyl)-(4-fluorophenyl)methanimine
SMILES[H]/N=C(\c1ccc(F)cc1)c1cccc(Br)c1
InChIInChI=1S/C13H9BrFN/c14-11-3-1-2-10(8-11)13(16)9-4-6-12(15)7-5-9/h1-8,16H/b16-13+
InChIKeyGOTKBRYINSGFDF-DTQAZKPQSA-N
XLogP4.00
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(4-fluorophenyl)methanimine?
The IUPAC name of (3-bromophenyl)-(4-fluorophenyl)methanimine (CID 87177690) is (3-bromophenyl)-(4-fluorophenyl)methanimine.
What is the SMILES notation for (3-bromophenyl)-(4-fluorophenyl)methanimine?
The canonical SMILES for (3-bromophenyl)-(4-fluorophenyl)methanimine is [H]/N=C(\c1ccc(F)cc1)c1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl)-(4-fluorophenyl)methanimine?
The InChIKey is GOTKBRYINSGFDF-DTQAZKPQSA-N. The full InChI is InChI=1S/C13H9BrFN/c14-11-3-1-2-10(8-11)13(16)9-4-6-12(15)7-5-9/h1-8,16H/b16-13+.
What are the key properties of (3-bromophenyl)-(4-fluorophenyl)methanimine?
(3-bromophenyl)-(4-fluorophenyl)methanimine has a molecular weight of 278.12 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(4-fluorophenyl)methanimine is sourced from PubChem (CID 87177690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).