1-(5-bromo-2-fluorophenyl)-2,2-difluoroethanimine

C8H5BrF3N — CID 88548641

IUPAC1-(5-bromo-2-fluorophenyl)-2,2-difluoroethanimine
SMILES[H]/N=C(/c1cc(Br)ccc1F)C(F)F
InChIInChI=1S/C8H5BrF3N/c9-4-1-2-6(10)5(3-4)7(13)8(11)12/h1-3,8,13H/b13-7-
InChIKeyHRCFSOUOQGOFPQ-QPEQYQDCSA-N
MW252.03 g/mol
LogP3.22
Rot. Bonds2

About 1-(5-bromo-2-fluorophenyl)-2,2-difluoroethanimine

1-(5-bromo-2-fluorophenyl)-2,2-difluoroethanimine (PubChem CID 88548641) has the molecular formula C8H5BrF3N and a molecular weight of 252.03 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2,2-difluoroethanimine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2,2-difluoroethanimine
PubChem CID88548641
Molecular FormulaC8H5BrF3N
Molecular Weight252.03 g/mol
Exact Mass250.96
IUPAC Name1-(5-bromo-2-fluorophenyl)-2,2-difluoroethanimine
SMILES[H]/N=C(/c1cc(Br)ccc1F)C(F)F
InChIInChI=1S/C8H5BrF3N/c9-4-1-2-6(10)5(3-4)7(13)8(11)12/h1-3,8,13H/b13-7-
InChIKeyHRCFSOUOQGOFPQ-QPEQYQDCSA-N
XLogP3.22
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.03
LogP ≤ 53.22
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 1-(5-bromo-2-fluorophenyl)-2,2-difluoroethanimine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2,2-difluoroethanimine (CID 88548641) is 1-(5-bromo-2-fluorophenyl)-2,2-difluoroethanimine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2,2-difluoroethanimine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2,2-difluoroethanimine is [H]/N=C(/c1cc(Br)ccc1F)C(F)F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2,2-difluoroethanimine?
The InChIKey is HRCFSOUOQGOFPQ-QPEQYQDCSA-N. The full InChI is InChI=1S/C8H5BrF3N/c9-4-1-2-6(10)5(3-4)7(13)8(11)12/h1-3,8,13H/b13-7-.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2,2-difluoroethanimine?
1-(5-bromo-2-fluorophenyl)-2,2-difluoroethanimine has a molecular weight of 252.03 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-2,2-difluoroethanimine is sourced from PubChem (CID 88548641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).