N-(4-bromophenyl)-2,2,2-trifluoroethanimidoyl bromide

C8H4Br2F3N — CID 175196993

IUPACN-(4-bromophenyl)-2,2,2-trifluoroethanimidoyl bromide
SMILESFC(F)(F)/C(Br)=N/c1ccc(Br)cc1
InChIInChI=1S/C8H4Br2F3N/c9-5-1-3-6(4-2-5)14-7(10)8(11,12)13/h1-4H/b14-7-
InChIKeyISSXUPUQLCGDOL-AUWJEWJLSA-N
MW330.93 g/mol
LogP4.44
Rot. Bonds1

About N-(4-bromophenyl)-2,2,2-trifluoroethanimidoyl bromide

N-(4-bromophenyl)-2,2,2-trifluoroethanimidoyl bromide (PubChem CID 175196993) has the molecular formula C8H4Br2F3N and a molecular weight of 330.93 g/mol. Its IUPAC name is N-(4-bromophenyl)-2,2,2-trifluoroethanimidoyl bromide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2,2,2-trifluoroethanimidoyl bromide
PubChem CID175196993
Molecular FormulaC8H4Br2F3N
Molecular Weight330.93 g/mol
Exact Mass328.87
IUPAC NameN-(4-bromophenyl)-2,2,2-trifluoroethanimidoyl bromide
SMILESFC(F)(F)/C(Br)=N/c1ccc(Br)cc1
InChIInChI=1S/C8H4Br2F3N/c9-5-1-3-6(4-2-5)14-7(10)8(11,12)13/h1-4H/b14-7-
InChIKeyISSXUPUQLCGDOL-AUWJEWJLSA-N
XLogP4.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.93
LogP ≤ 54.44
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 N-(4-bromophenyl)-2,2,2-trifluoroethanimidoyl bromide?
The IUPAC name of N-(4-bromophenyl)-2,2,2-trifluoroethanimidoyl bromide (CID 175196993) is N-(4-bromophenyl)-2,2,2-trifluoroethanimidoyl bromide.
What is the SMILES notation for N-(4-bromophenyl)-2,2,2-trifluoroethanimidoyl bromide?
The canonical SMILES for N-(4-bromophenyl)-2,2,2-trifluoroethanimidoyl bromide is FC(F)(F)/C(Br)=N/c1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2,2,2-trifluoroethanimidoyl bromide?
The InChIKey is ISSXUPUQLCGDOL-AUWJEWJLSA-N. The full InChI is InChI=1S/C8H4Br2F3N/c9-5-1-3-6(4-2-5)14-7(10)8(11,12)13/h1-4H/b14-7-.
What are the key properties of N-(4-bromophenyl)-2,2,2-trifluoroethanimidoyl bromide?
N-(4-bromophenyl)-2,2,2-trifluoroethanimidoyl bromide has a molecular weight of 330.93 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2,2,2-trifluoroethanimidoyl bromide is sourced from PubChem (CID 175196993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).