N-(4-bromophenyl)-2,2,2-trifluoroethanimine

C8H5BrF3N — CID 11172782

IUPACN-(4-bromophenyl)-2,2,2-trifluoroethanimine
SMILESFC(F)(F)/C=N/c1ccc(Br)cc1
InChIInChI=1S/C8H5BrF3N/c9-6-1-3-7(4-2-6)13-5-8(10,11)12/h1-5H/b13-5+
InChIKeyLCYQAWWRSVBGIX-WLRTZDKTSA-N
MW252.03 g/mol
LogP3.71
Rot. Bonds1

About N-(4-bromophenyl)-2,2,2-trifluoroethanimine

N-(4-bromophenyl)-2,2,2-trifluoroethanimine (PubChem CID 11172782) has the molecular formula C8H5BrF3N and a molecular weight of 252.03 g/mol. Its IUPAC name is N-(4-bromophenyl)-2,2,2-trifluoroethanimine.

Molecular Properties

Compound NameN-(4-bromophenyl)-2,2,2-trifluoroethanimine
PubChem CID11172782
Molecular FormulaC8H5BrF3N
Molecular Weight252.03 g/mol
Exact Mass250.96
IUPAC NameN-(4-bromophenyl)-2,2,2-trifluoroethanimine
SMILESFC(F)(F)/C=N/c1ccc(Br)cc1
InChIInChI=1S/C8H5BrF3N/c9-6-1-3-7(4-2-6)13-5-8(10,11)12/h1-5H/b13-5+
InChIKeyLCYQAWWRSVBGIX-WLRTZDKTSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.03
LogP ≤ 53.71
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-trifluoroethanimine?
The IUPAC name of N-(4-bromophenyl)-2,2,2-trifluoroethanimine (CID 11172782) is N-(4-bromophenyl)-2,2,2-trifluoroethanimine.
What is the SMILES notation for N-(4-bromophenyl)-2,2,2-trifluoroethanimine?
The canonical SMILES for N-(4-bromophenyl)-2,2,2-trifluoroethanimine is FC(F)(F)/C=N/c1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2,2,2-trifluoroethanimine?
The InChIKey is LCYQAWWRSVBGIX-WLRTZDKTSA-N. The full InChI is InChI=1S/C8H5BrF3N/c9-6-1-3-7(4-2-6)13-5-8(10,11)12/h1-5H/b13-5+.
What are the key properties of N-(4-bromophenyl)-2,2,2-trifluoroethanimine?
N-(4-bromophenyl)-2,2,2-trifluoroethanimine has a molecular weight of 252.03 g/mol, XLogP of 3.71, 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-trifluoroethanimine is sourced from PubChem (CID 11172782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).