2,2,2-trifluoro-N-(2-fluorophenyl)ethanimidoyl bromide

C8H4BrF4N — CID 71390837

IUPAC2,2,2-trifluoro-N-(2-fluorophenyl)ethanimidoyl bromide
SMILESFc1ccccc1/N=C(\Br)C(F)(F)F
InChIInChI=1S/C8H4BrF4N/c9-7(8(11,12)13)14-6-4-2-1-3-5(6)10/h1-4H/b14-7-
InChIKeyIQWRDXFVKRPYFE-AUWJEWJLSA-N
MW270.02 g/mol
LogP3.81
Rot. Bonds1

About 2,2,2-trifluoro-N-(2-fluorophenyl)ethanimidoyl bromide

2,2,2-trifluoro-N-(2-fluorophenyl)ethanimidoyl bromide (PubChem CID 71390837) has the molecular formula C8H4BrF4N and a molecular weight of 270.02 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-fluorophenyl)ethanimidoyl bromide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-fluorophenyl)ethanimidoyl bromide
PubChem CID71390837
Molecular FormulaC8H4BrF4N
Molecular Weight270.02 g/mol
Exact Mass268.95
IUPAC Name2,2,2-trifluoro-N-(2-fluorophenyl)ethanimidoyl bromide
SMILESFc1ccccc1/N=C(\Br)C(F)(F)F
InChIInChI=1S/C8H4BrF4N/c9-7(8(11,12)13)14-6-4-2-1-3-5(6)10/h1-4H/b14-7-
InChIKeyIQWRDXFVKRPYFE-AUWJEWJLSA-N
XLogP3.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.02
LogP ≤ 53.81
H-Bond Donors ≤ 50
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 2,2,2-trifluoro-N-(2-fluorophenyl)ethanimidoyl bromide?
The IUPAC name of 2,2,2-trifluoro-N-(2-fluorophenyl)ethanimidoyl bromide (CID 71390837) is 2,2,2-trifluoro-N-(2-fluorophenyl)ethanimidoyl bromide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-fluorophenyl)ethanimidoyl bromide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-fluorophenyl)ethanimidoyl bromide is Fc1ccccc1/N=C(\Br)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-fluorophenyl)ethanimidoyl bromide?
The InChIKey is IQWRDXFVKRPYFE-AUWJEWJLSA-N. The full InChI is InChI=1S/C8H4BrF4N/c9-7(8(11,12)13)14-6-4-2-1-3-5(6)10/h1-4H/b14-7-.
What are the key properties of 2,2,2-trifluoro-N-(2-fluorophenyl)ethanimidoyl bromide?
2,2,2-trifluoro-N-(2-fluorophenyl)ethanimidoyl bromide has a molecular weight of 270.02 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-fluorophenyl)ethanimidoyl bromide is sourced from PubChem (CID 71390837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).