N-(2-bromophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine

C13H5BrF5N — CID 631630

IUPACN-(2-bromophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine
SMILESFc1c(F)c(F)c(/C=N/c2ccccc2Br)c(F)c1F
InChIInChI=1S/C13H5BrF5N/c14-7-3-1-2-4-8(7)20-5-6-9(15)11(17)13(19)12(18)10(6)16/h1-5H/b20-5+
InChIKeyXOKGSDGMWMXHBA-DENHBWNVSA-N
MW350.08 g/mol
LogP4.90
Rot. Bonds2

About N-(2-bromophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine

N-(2-bromophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine (PubChem CID 631630) has the molecular formula C13H5BrF5N and a molecular weight of 350.08 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine
PubChem CID631630
Molecular FormulaC13H5BrF5N
Molecular Weight350.08 g/mol
Exact Mass348.95
IUPAC NameN-(2-bromophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine
SMILESFc1c(F)c(F)c(/C=N/c2ccccc2Br)c(F)c1F
InChIInChI=1S/C13H5BrF5N/c14-7-3-1-2-4-8(7)20-5-6-9(15)11(17)13(19)12(18)10(6)16/h1-5H/b20-5+
InChIKeyXOKGSDGMWMXHBA-DENHBWNVSA-N
XLogP4.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.08
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine?
The IUPAC name of N-(2-bromophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine (CID 631630) is N-(2-bromophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine.
What is the SMILES notation for N-(2-bromophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine?
The canonical SMILES for N-(2-bromophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine is Fc1c(F)c(F)c(/C=N/c2ccccc2Br)c(F)c1F.
What is the InChIKey of N-(2-bromophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine?
The InChIKey is XOKGSDGMWMXHBA-DENHBWNVSA-N. The full InChI is InChI=1S/C13H5BrF5N/c14-7-3-1-2-4-8(7)20-5-6-9(15)11(17)13(19)12(18)10(6)16/h1-5H/b20-5+.
What are the key properties of N-(2-bromophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine?
N-(2-bromophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine has a molecular weight of 350.08 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine is sourced from PubChem (CID 631630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).