2,4-dibromo-6-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol

C14H7Br2F4NO — CID 162645521

IUPAC2,4-dibromo-6-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C14H7Br2F4NO/c15-9-3-7(13(22)10(16)5-9)6-21-12-4-8(14(18,19)20)1-2-11(12)17/h1-6,22H/b21-6+
InChIKeyLYBWHUIBGCUQBA-AERZKKPOSA-N
MW441.02 g/mol
LogP5.83
Rot. Bonds2

About 2,4-dibromo-6-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol

2,4-dibromo-6-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol (PubChem CID 162645521) has the molecular formula C14H7Br2F4NO and a molecular weight of 441.02 g/mol. Its IUPAC name is 2,4-dibromo-6-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol
PubChem CID162645521
Molecular FormulaC14H7Br2F4NO
Molecular Weight441.02 g/mol
Exact Mass438.88
IUPAC Name2,4-dibromo-6-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C14H7Br2F4NO/c15-9-3-7(13(22)10(16)5-9)6-21-12-4-8(14(18,19)20)1-2-11(12)17/h1-6,22H/b21-6+
InChIKeyLYBWHUIBGCUQBA-AERZKKPOSA-N
XLogP5.83
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.02
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(((4-Bromophenyl)imino)methyl)phenol
CID 13448
4-bromo-2-{(E)-[(2-fluorophenyl)imino]methyl}phenol
CID 710140
N-(5-Bromo-2-hydroxybenzylidene)-2-hydroxyaniline
CID 352427
2-[(Benzylimino)methyl]-4,6-dibromobenzenol
CID 1241574
2,4-Dibromo-6-{[(4-fluorobenzyl)imino]methyl}benzenol
CID 1482590
4-bromo-2-[(E)-(phenylimino)methyl]phenol
CID 305088
2,4-Dibromo-6-((2-fluoro-phenylimino)-methyl)-phenol
CID 1286581
4-Bromo-2-(O-tolylimino-methyl)-phenol
CID 271522
Alpha-(3-bromophenylimino)-O-cresol
CID 4277662
Phenol, 2,4-dibromo-6-[[(2,4-dimethylphenyl)imino]methyl]-
CID 1286588
2,4-Dibromo-6-{[(2-chlorophenyl)imino]methyl}benzenol
CID 1286593
2-Bromo-6-(pentafluorophenyl-hydrazonomethyl)-phenol
CID 135498004

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol (CID 162645521) is 2,4-dibromo-6-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol is Oc1c(Br)cc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2,4-dibromo-6-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The InChIKey is LYBWHUIBGCUQBA-AERZKKPOSA-N. The full InChI is InChI=1S/C14H7Br2F4NO/c15-9-3-7(13(22)10(16)5-9)6-21-12-4-8(14(18,19)20)1-2-11(12)17/h1-6,22H/b21-6+.
What are the key properties of 2,4-dibromo-6-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
2,4-dibromo-6-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol has a molecular weight of 441.02 g/mol, XLogP of 5.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 162645521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).