N-(4-bromophenyl)-1-(2,6-difluorophenyl)ethanimine

C14H10BrF2N — CID 87246968

IUPACN-(4-bromophenyl)-1-(2,6-difluorophenyl)ethanimine
SMILESC/C(=N\c1ccc(Br)cc1)c1c(F)cccc1F
InChIInChI=1S/C14H10BrF2N/c1-9(14-12(16)3-2-4-13(14)17)18-11-7-5-10(15)6-8-11/h2-8H,1H3/b18-9+
InChIKeyFQMIVXSESLZBPO-GIJQJNRQSA-N
MW310.14 g/mol
LogP4.87
Rot. Bonds2

About N-(4-bromophenyl)-1-(2,6-difluorophenyl)ethanimine

N-(4-bromophenyl)-1-(2,6-difluorophenyl)ethanimine (PubChem CID 87246968) has the molecular formula C14H10BrF2N and a molecular weight of 310.14 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(2,6-difluorophenyl)ethanimine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(2,6-difluorophenyl)ethanimine
PubChem CID87246968
Molecular FormulaC14H10BrF2N
Molecular Weight310.14 g/mol
Exact Mass309.00
IUPAC NameN-(4-bromophenyl)-1-(2,6-difluorophenyl)ethanimine
SMILESC/C(=N\c1ccc(Br)cc1)c1c(F)cccc1F
InChIInChI=1S/C14H10BrF2N/c1-9(14-12(16)3-2-4-13(14)17)18-11-7-5-10(15)6-8-11/h2-8H,1H3/b18-9+
InChIKeyFQMIVXSESLZBPO-GIJQJNRQSA-N
XLogP4.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-Benzylidene-4-bromoaniline
CID 262176
N-(4-Bromo-phenyl)-benzamidine
CID 2838838
p-Methylbenzylidene-(4-bromophenyl)-amine
CID 525717
p-Bromobenzylidene-(4-bromophenyl)-amine
CID 525659
Benzhydrylidene-(3-bromo-phenyl)-amine
CID 87711164
N-[4-bromo-2-(trifluoromethyl)phenyl]-1-phenylmethanimine
CID 2797496
N-[(4-Bromophenyl)methylene]-4-fluorobenzenamine
CID 904271
N-[1-(4-Fluorophenyl)ethylidene]benzenamine
CID 11241334
Benzenamine, 4-fluoro-N-(1-phenylethylidene)-
CID 11310403
Benzenamine, 4-bromo-N-(diphenylethenylidene)-
CID 349473
Benzenamine, N-[1-(4-bromophenyl)ethylidene]-
CID 641181
4-Bromo-N-(4-fluorobenzylidene)-aniline
CID 961544

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(2,6-difluorophenyl)ethanimine?
The IUPAC name of N-(4-bromophenyl)-1-(2,6-difluorophenyl)ethanimine (CID 87246968) is N-(4-bromophenyl)-1-(2,6-difluorophenyl)ethanimine.
What is the SMILES notation for N-(4-bromophenyl)-1-(2,6-difluorophenyl)ethanimine?
The canonical SMILES for N-(4-bromophenyl)-1-(2,6-difluorophenyl)ethanimine is C/C(=N\c1ccc(Br)cc1)c1c(F)cccc1F.
What is the InChIKey of N-(4-bromophenyl)-1-(2,6-difluorophenyl)ethanimine?
The InChIKey is FQMIVXSESLZBPO-GIJQJNRQSA-N. The full InChI is InChI=1S/C14H10BrF2N/c1-9(14-12(16)3-2-4-13(14)17)18-11-7-5-10(15)6-8-11/h2-8H,1H3/b18-9+.
What are the key properties of N-(4-bromophenyl)-1-(2,6-difluorophenyl)ethanimine?
N-(4-bromophenyl)-1-(2,6-difluorophenyl)ethanimine has a molecular weight of 310.14 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-(2,6-difluorophenyl)ethanimine is sourced from PubChem (CID 87246968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).