4-bromo-2-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol

C14H8BrClF3NO — CID 1241140

IUPAC4-bromo-2-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H8BrClF3NO/c15-10-2-4-13(21)8(5-10)7-20-12-6-9(14(17,18)19)1-3-11(12)16/h1-7,21H/b20-7+
InChIKeyYMOJROHGERMSBJ-IFRROFPPSA-N
MW378.58 g/mol
LogP5.58
Rot. Bonds2

About 4-bromo-2-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol

4-bromo-2-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol (PubChem CID 1241140) has the molecular formula C14H8BrClF3NO and a molecular weight of 378.58 g/mol. Its IUPAC name is 4-bromo-2-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol
PubChem CID1241140
Molecular FormulaC14H8BrClF3NO
Molecular Weight378.58 g/mol
Exact Mass376.94
IUPAC Name4-bromo-2-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H8BrClF3NO/c15-10-2-4-13(21)8(5-10)7-20-12-6-9(14(17,18)19)1-3-11(12)16/h1-7,21H/b20-7+
InChIKeyYMOJROHGERMSBJ-IFRROFPPSA-N
XLogP5.58
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.58
LogP ≤ 55.58
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 4-bromo-2-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The IUPAC name of 4-bromo-2-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol (CID 1241140) is 4-bromo-2-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol is Oc1ccc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 4-bromo-2-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The InChIKey is YMOJROHGERMSBJ-IFRROFPPSA-N. The full InChI is InChI=1S/C14H8BrClF3NO/c15-10-2-4-13(21)8(5-10)7-20-12-6-9(14(17,18)19)1-3-11(12)16/h1-7,21H/b20-7+.
What are the key properties of 4-bromo-2-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
4-bromo-2-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol has a molecular weight of 378.58 g/mol, XLogP of 5.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 1241140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).