2,4-dibromo-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol

C14H8Br2F3NO — CID 4566143

IUPAC2,4-dibromo-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H8Br2F3NO/c15-10-4-8(13(21)12(16)6-10)7-20-11-3-1-2-9(5-11)14(17,18)19/h1-7,21H/b20-7+
InChIKeyZXVWFYFIVMFPKZ-IFRROFPPSA-N
MW423.03 g/mol
LogP5.69
Rot. Bonds2

About 2,4-dibromo-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol

2,4-dibromo-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol (PubChem CID 4566143) has the molecular formula C14H8Br2F3NO and a molecular weight of 423.03 g/mol. Its IUPAC name is 2,4-dibromo-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol
PubChem CID4566143
Molecular FormulaC14H8Br2F3NO
Molecular Weight423.03 g/mol
Exact Mass420.89
IUPAC Name2,4-dibromo-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H8Br2F3NO/c15-10-4-8(13(21)12(16)6-10)7-20-11-3-1-2-9(5-11)14(17,18)19/h1-7,21H/b20-7+
InChIKeyZXVWFYFIVMFPKZ-IFRROFPPSA-N
XLogP5.69
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.03
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,4-dibromo-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol (CID 4566143) is 2,4-dibromo-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol is Oc1c(Br)cc(Br)cc1/C=N/c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2,4-dibromo-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol?
The InChIKey is ZXVWFYFIVMFPKZ-IFRROFPPSA-N. The full InChI is InChI=1S/C14H8Br2F3NO/c15-10-4-8(13(21)12(16)6-10)7-20-11-3-1-2-9(5-11)14(17,18)19/h1-7,21H/b20-7+.
What are the key properties of 2,4-dibromo-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol?
2,4-dibromo-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol has a molecular weight of 423.03 g/mol, XLogP of 5.69, 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-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 4566143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).