N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1,1-diphenylmethanimine

C22H17BrF3N — CID 166446424

IUPACN-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1,1-diphenylmethanimine
SMILESFC(F)(F)CC(N=C(c1ccccc1)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C22H17BrF3N/c23-19-13-11-16(12-14-19)20(15-22(24,25)26)27-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20H,15H2
InChIKeyMYXBFTXLYPZEQO-UHFFFAOYSA-N
MW432.28 g/mol
LogP6.98
Rot. Bonds5

About N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1,1-diphenylmethanimine

N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1,1-diphenylmethanimine (PubChem CID 166446424) has the molecular formula C22H17BrF3N and a molecular weight of 432.28 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1,1-diphenylmethanimine
PubChem CID166446424
Molecular FormulaC22H17BrF3N
Molecular Weight432.28 g/mol
Exact Mass431.05
IUPAC NameN-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1,1-diphenylmethanimine
SMILESFC(F)(F)CC(N=C(c1ccccc1)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C22H17BrF3N/c23-19-13-11-16(12-14-19)20(15-22(24,25)26)27-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20H,15H2
InChIKeyMYXBFTXLYPZEQO-UHFFFAOYSA-N
XLogP6.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.28
LogP ≤ 56.98
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-[1-(4-fluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine
CID 11858934
N-[(4-bromophenyl)methyl]-1-(2,4,6-trifluorophenyl)methanimine
CID 24754439
N-(3-bromo-2-fluoro-2-phenylpropyl)-1,1-diphenylmethanimine
CID 25260050
N-benzyl-1-(4-bromo-2,6-difluorophenyl)methanimine
CID 101453918
1,1-diphenyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine
CID 102030759
N-[(1R)-1-(3,5-difluorophenyl)but-3-enyl]-1,1-diphenylmethanimine
CID 102030760
1-(2-bromophenyl)-N-cyclohexyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine
CID 135002725
N-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-bis(4-fluorophenyl)methanimine
CID 139186374
N-benzhydryl-1-(4-bromophenyl)methanimine
CID 11858655
N-benzyl-1-(4-bromophenyl)ethanimine
CID 12306329
(E)-N-(2-Bromobenzylidene)-1,1-diphenylmethanamine
CID 59315617
N-benzhydryl-1-(3-bromophenyl)methanimine
CID 67052884

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1,1-diphenylmethanimine (CID 166446424) is N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1,1-diphenylmethanimine is FC(F)(F)CC(N=C(c1ccccc1)c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1,1-diphenylmethanimine?
The InChIKey is MYXBFTXLYPZEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrF3N/c23-19-13-11-16(12-14-19)20(15-22(24,25)26)27-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20H,15H2.
What are the key properties of N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1,1-diphenylmethanimine?
N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1,1-diphenylmethanimine has a molecular weight of 432.28 g/mol, XLogP of 6.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 166446424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).