N-[(4-bromophenyl)methyl]-1-(2,4,6-trifluorophenyl)methanimine

C14H9BrF3N — CID 24754439

IUPACN-[(4-bromophenyl)methyl]-1-(2,4,6-trifluorophenyl)methanimine
SMILESFc1cc(F)c(/C=N/Cc2ccc(Br)cc2)c(F)c1
InChIInChI=1S/C14H9BrF3N/c15-10-3-1-9(2-4-10)7-19-8-12-13(17)5-11(16)6-14(12)18/h1-6,8H,7H2/b19-8+
InChIKeyDGLKHQBJBXWSCI-UFWORHAWSA-N
MW328.13 g/mol
LogP4.49
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-1-(2,4,6-trifluorophenyl)methanimine

N-[(4-bromophenyl)methyl]-1-(2,4,6-trifluorophenyl)methanimine (PubChem CID 24754439) has the molecular formula C14H9BrF3N and a molecular weight of 328.13 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-(2,4,6-trifluorophenyl)methanimine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-(2,4,6-trifluorophenyl)methanimine
PubChem CID24754439
Molecular FormulaC14H9BrF3N
Molecular Weight328.13 g/mol
Exact Mass326.99
IUPAC NameN-[(4-bromophenyl)methyl]-1-(2,4,6-trifluorophenyl)methanimine
SMILESFc1cc(F)c(/C=N/Cc2ccc(Br)cc2)c(F)c1
InChIInChI=1S/C14H9BrF3N/c15-10-3-1-9(2-4-10)7-19-8-12-13(17)5-11(16)6-14(12)18/h1-6,8H,7H2/b19-8+
InChIKeyDGLKHQBJBXWSCI-UFWORHAWSA-N
XLogP4.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.13
LogP ≤ 54.49
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-(4-Bromobenzylidene)aniline
CID 525674
N-(2-fluorobenzylidene)(phenyl)methanamine
CID 44221747
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]methanimine
CID 16752924
2-Fluoro-N-((2-fluorophenyl)methylene)benzenemethanamine
CID 67464029
p-Bromobenzylidene-benzyl-amine
CID 525665
N-[(4-Bromophenyl)methylene]-4-fluorobenzenamine
CID 904271
Benzenemethanamine, N-[(pentafluorophenyl)methylene]-
CID 3442452
Benzenemethanamine, N-[(4-fluorophenyl)methylene]-
CID 10910873
N-[(4-fluorophenyl)methyl]-1-phenylmethanimine
CID 21679638
N-benzyl-1-(3-bromophenyl)methanimine
CID 2796512
p-Bromobenzylidene-cyclohexyl-amine
CID 525667
4-Bromo-N-[(4-bromophenyl)methylene]benzenemethanamine
CID 85840300

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-(2,4,6-trifluorophenyl)methanimine?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-(2,4,6-trifluorophenyl)methanimine (CID 24754439) is N-[(4-bromophenyl)methyl]-1-(2,4,6-trifluorophenyl)methanimine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-(2,4,6-trifluorophenyl)methanimine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-(2,4,6-trifluorophenyl)methanimine is Fc1cc(F)c(/C=N/Cc2ccc(Br)cc2)c(F)c1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-(2,4,6-trifluorophenyl)methanimine?
The InChIKey is DGLKHQBJBXWSCI-UFWORHAWSA-N. The full InChI is InChI=1S/C14H9BrF3N/c15-10-3-1-9(2-4-10)7-19-8-12-13(17)5-11(16)6-14(12)18/h1-6,8H,7H2/b19-8+.
What are the key properties of N-[(4-bromophenyl)methyl]-1-(2,4,6-trifluorophenyl)methanimine?
N-[(4-bromophenyl)methyl]-1-(2,4,6-trifluorophenyl)methanimine has a molecular weight of 328.13 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-(2,4,6-trifluorophenyl)methanimine is sourced from PubChem (CID 24754439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).