N-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-bis(4-fluorophenyl)methanimine

C21H14BrF2N — CID 139186374

IUPACN-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-bis(4-fluorophenyl)methanimine
SMILESFc1ccc(C(=N/C=C\c2ccc(Br)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H14BrF2N/c22-18-7-1-15(2-8-18)13-14-25-21(16-3-9-19(23)10-4-16)17-5-11-20(24)12-6-17/h1-14H/b14-13-
InChIKeyVZMBTZCKYFGVTH-YPKPFQOOSA-N
MW398.25 g/mol
LogP6.24
Rot. Bonds4

About N-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-bis(4-fluorophenyl)methanimine

N-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-bis(4-fluorophenyl)methanimine (PubChem CID 139186374) has the molecular formula C21H14BrF2N and a molecular weight of 398.25 g/mol. Its IUPAC name is N-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-bis(4-fluorophenyl)methanimine.

Molecular Properties

Compound NameN-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-bis(4-fluorophenyl)methanimine
PubChem CID139186374
Molecular FormulaC21H14BrF2N
Molecular Weight398.25 g/mol
Exact Mass397.03
IUPAC NameN-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-bis(4-fluorophenyl)methanimine
SMILESFc1ccc(C(=N/C=C\c2ccc(Br)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H14BrF2N/c22-18-7-1-15(2-8-18)13-14-25-21(16-3-9-19(23)10-4-16)17-5-11-20(24)12-6-17/h1-14H/b14-13-
InChIKeyVZMBTZCKYFGVTH-YPKPFQOOSA-N
XLogP6.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.25
LogP ≤ 56.24
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

3-(4-Bromophenyl)-2-phenyl-6,7-dihydro-5h-1,4-diazepine
CID 44563826
1-(2-bromophenyl)-N-cyclohexyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine
CID 135002725
N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1,1-diphenylmethanimine
CID 166446424
5,6-Bis(4-bromophenyl)-2,3-dihydropyrazine
CID 13171290
2-(4-Bromophenyl)-3-(4-fluorophenyl)-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)pyrrole
CID 12831596
5-(4-bromophenyl)-2-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole
CID 21918436
6-(4-Bromo-3-fluorophenyl)-2,3,4,5-tetrahydropyridine
CID 58938108
2-(Benzhydrylideneamino)-3-(4-bromo-2-fluorophenyl)propanenitrile
CID 90430148
2-(Benzhydrylideneamino)-3-(4-bromo-2,5-difluorophenyl)propanenitrile
CID 90430593
2-(Benzhydrylideneamino)-3-(4-bromo-2,6-difluorophenyl)propanenitrile
CID 90430594
3-(4-Bromophenyl)-6-(4-fluorophenyl)-2,3-dihydropyridine
CID 167136780
2-(Benzhydrylideneamino)-3-(4-bromo-3-fluorophenyl)propanenitrile
CID 170754470

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-bis(4-fluorophenyl)methanimine?
The IUPAC name of N-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-bis(4-fluorophenyl)methanimine (CID 139186374) is N-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-bis(4-fluorophenyl)methanimine.
What is the SMILES notation for N-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-bis(4-fluorophenyl)methanimine?
The canonical SMILES for N-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-bis(4-fluorophenyl)methanimine is Fc1ccc(C(=N/C=C\c2ccc(Br)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-bis(4-fluorophenyl)methanimine?
The InChIKey is VZMBTZCKYFGVTH-YPKPFQOOSA-N. The full InChI is InChI=1S/C21H14BrF2N/c22-18-7-1-15(2-8-18)13-14-25-21(16-3-9-19(23)10-4-16)17-5-11-20(24)12-6-17/h1-14H/b14-13-.
What are the key properties of N-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-bis(4-fluorophenyl)methanimine?
N-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-bis(4-fluorophenyl)methanimine has a molecular weight of 398.25 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-bis(4-fluorophenyl)methanimine is sourced from PubChem (CID 139186374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).