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

C14H7Br2ClF3NO — CID 135703144

IUPAC2,4-dibromo-6-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H7Br2ClF3NO/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+
InChIKeyONFTXKAORJRTQM-AERZKKPOSA-N
MW457.47 g/mol
LogP6.34
Rot. Bonds2

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

2,4-dibromo-6-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol (PubChem CID 135703144) has the molecular formula C14H7Br2ClF3NO and a molecular weight of 457.47 g/mol. Its IUPAC name is 2,4-dibromo-6-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol
PubChem CID135703144
Molecular FormulaC14H7Br2ClF3NO
Molecular Weight457.47 g/mol
Exact Mass454.85
IUPAC Name2,4-dibromo-6-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H7Br2ClF3NO/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+
InChIKeyONFTXKAORJRTQM-AERZKKPOSA-N
XLogP6.34
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.47
LogP ≤ 56.34
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

4-Bromo-2-{[(4-chlorophenyl)imino]methyl}phenol
CID 305082
Phenol, 2-bromo-6-[[(2-bromophenyl)imino]methyl]-4-chloro-
CID 1377772
2,4-Dibromo-6-((2-fluoro-phenylimino)-methyl)-phenol
CID 1286581
4-Bromo-2-{[(3,5-dichlorophenyl)imino]methyl}phenol
CID 710164
2,4-Dibromo-6-{[(2-chlorophenyl)imino]methyl}benzenol
CID 1286593
4-bromo-2-chloro-6-{(E)-[(3-methylphenyl)imino]methyl}phenol
CID 691076
2,4-Dibromo-6-[[2-chloro-5-(trifluoromethyl)anilino]methyl]phenol
CID 162658349
2,4-Dibromo-6-[(Z)-{[3-(trifluoromethyl)phenyl]imino}methyl]phenol
CID 4566143
4-Bromo-2-({[3-(trifluoromethyl)phenyl]imino}methyl)phenol
CID 305092
Nsc119178
CID 273754
4-Bromo-2-chloro-6-[(E)-[(4-fluorophenyl)imino]methyl]phenol
CID 759600
4-bromo-2-[(E)-{[2-chloro-5-(trifluoromethyl)phenyl]imino}methyl]phenol
CID 1241140

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol (CID 135703144) is 2,4-dibromo-6-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol is Oc1c(Br)cc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2,4-dibromo-6-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The InChIKey is ONFTXKAORJRTQM-AERZKKPOSA-N. The full InChI is InChI=1S/C14H7Br2ClF3NO/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-chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
2,4-dibromo-6-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol has a molecular weight of 457.47 g/mol, XLogP of 6.34, 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-chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 135703144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).