1-(4-bromo-2-fluorophenyl)-N-[2-[(4-bromo-2-fluorophenyl)methylideneamino]ethyl]methanimine

C16H12Br2F2N2 — CID 139075292

IUPAC1-(4-bromo-2-fluorophenyl)-N-[2-[(4-bromo-2-fluorophenyl)methylideneamino]ethyl]methanimine
SMILESFc1cc(Br)ccc1/C=N/CC/N=C/c1ccc(Br)cc1F
InChIInChI=1S/C16H12Br2F2N2/c17-13-3-1-11(15(19)7-13)9-21-5-6-22-10-12-2-4-14(18)8-16(12)20/h1-4,7-10H,5-6H2/b21-9+,22-10+
InChIKeyKMPBLNWCCIVVMR-VGENTYGXSA-N
MW430.09 g/mol
LogP5.03
Rot. Bonds5

About 1-(4-bromo-2-fluorophenyl)-N-[2-[(4-bromo-2-fluorophenyl)methylideneamino]ethyl]methanimine

1-(4-bromo-2-fluorophenyl)-N-[2-[(4-bromo-2-fluorophenyl)methylideneamino]ethyl]methanimine (PubChem CID 139075292) has the molecular formula C16H12Br2F2N2 and a molecular weight of 430.09 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-[2-[(4-bromo-2-fluorophenyl)methylideneamino]ethyl]methanimine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-[2-[(4-bromo-2-fluorophenyl)methylideneamino]ethyl]methanimine
PubChem CID139075292
Molecular FormulaC16H12Br2F2N2
Molecular Weight430.09 g/mol
Exact Mass427.93
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-[2-[(4-bromo-2-fluorophenyl)methylideneamino]ethyl]methanimine
SMILESFc1cc(Br)ccc1/C=N/CC/N=C/c1ccc(Br)cc1F
InChIInChI=1S/C16H12Br2F2N2/c17-13-3-1-11(15(19)7-13)9-21-5-6-22-10-12-2-4-14(18)8-16(12)20/h1-4,7-10H,5-6H2/b21-9+,22-10+
InChIKeyKMPBLNWCCIVVMR-VGENTYGXSA-N
XLogP5.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.09
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(1E,2E)-1,2-bis(4-bromobenzylidene)hydrazine
CID 6894308
N,N'-Bis-(4-fluorobenzylidene)-ethylenediamine
CID 3300350
p-Bromobenzylidene-benzyl-amine
CID 525665
3-(4-Bromophenyl)-2-phenyl-6,7-dihydro-5h-1,4-diazepine
CID 44563826
4-Bromo-N-[(4-bromophenyl)methylene]benzenemethanamine
CID 85840300
N-[(4-bromophenyl)methyl]-1-(2,4,6-trifluorophenyl)methanimine
CID 24754439
N-benzyl-1-(4-bromo-2,6-difluorophenyl)methanimine
CID 101453918
(Z)-1-(4-bromophenyl)-N-[(Z)-(4-bromophenyl)methylideneamino]methanimine
CID 5644883
(1E,2E)-1,2-Bis(2-bromobenzylidene)hydrazine
CID 9615420
Allyl-(4-bromo-benzylidene)-amine
CID 11436030
5,6-Bis(4-bromophenyl)-2,3-dihydropyrazine
CID 13171290
(N1Z,N2Z)-N1,N2-Bis(4-bromobenzylidene)ethane-1,2-diamine
CID 86006405

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-[2-[(4-bromo-2-fluorophenyl)methylideneamino]ethyl]methanimine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-[2-[(4-bromo-2-fluorophenyl)methylideneamino]ethyl]methanimine (CID 139075292) is 1-(4-bromo-2-fluorophenyl)-N-[2-[(4-bromo-2-fluorophenyl)methylideneamino]ethyl]methanimine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-[2-[(4-bromo-2-fluorophenyl)methylideneamino]ethyl]methanimine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-[2-[(4-bromo-2-fluorophenyl)methylideneamino]ethyl]methanimine is Fc1cc(Br)ccc1/C=N/CC/N=C/c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-[2-[(4-bromo-2-fluorophenyl)methylideneamino]ethyl]methanimine?
The InChIKey is KMPBLNWCCIVVMR-VGENTYGXSA-N. The full InChI is InChI=1S/C16H12Br2F2N2/c17-13-3-1-11(15(19)7-13)9-21-5-6-22-10-12-2-4-14(18)8-16(12)20/h1-4,7-10H,5-6H2/b21-9+,22-10+.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-[2-[(4-bromo-2-fluorophenyl)methylideneamino]ethyl]methanimine?
1-(4-bromo-2-fluorophenyl)-N-[2-[(4-bromo-2-fluorophenyl)methylideneamino]ethyl]methanimine has a molecular weight of 430.09 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-N-[2-[(4-bromo-2-fluorophenyl)methylideneamino]ethyl]methanimine is sourced from PubChem (CID 139075292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).