1-(4-chloro-3-fluorophenyl)-N-[2-[(4-chloro-3-fluorophenyl)methylideneamino]ethyl]methanimine

C16H12Cl2F2N2 — CID 139075489

IUPAC1-(4-chloro-3-fluorophenyl)-N-[2-[(4-chloro-3-fluorophenyl)methylideneamino]ethyl]methanimine
SMILESFc1cc(/C=N/CC/N=C/c2ccc(Cl)c(F)c2)ccc1Cl
InChIInChI=1S/C16H12Cl2F2N2/c17-13-3-1-11(7-15(13)19)9-21-5-6-22-10-12-2-4-14(18)16(20)8-12/h1-4,7-10H,5-6H2/b21-9+,22-10+
InChIKeyCNSSYDUTPVMOGE-VGENTYGXSA-N
MW341.19 g/mol
LogP4.81
Rot. Bonds5

About 1-(4-chloro-3-fluorophenyl)-N-[2-[(4-chloro-3-fluorophenyl)methylideneamino]ethyl]methanimine

1-(4-chloro-3-fluorophenyl)-N-[2-[(4-chloro-3-fluorophenyl)methylideneamino]ethyl]methanimine (PubChem CID 139075489) has the molecular formula C16H12Cl2F2N2 and a molecular weight of 341.19 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-[2-[(4-chloro-3-fluorophenyl)methylideneamino]ethyl]methanimine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-[2-[(4-chloro-3-fluorophenyl)methylideneamino]ethyl]methanimine
PubChem CID139075489
Molecular FormulaC16H12Cl2F2N2
Molecular Weight341.19 g/mol
Exact Mass340.03
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-[2-[(4-chloro-3-fluorophenyl)methylideneamino]ethyl]methanimine
SMILESFc1cc(/C=N/CC/N=C/c2ccc(Cl)c(F)c2)ccc1Cl
InChIInChI=1S/C16H12Cl2F2N2/c17-13-3-1-11(7-15(13)19)9-21-5-6-22-10-12-2-4-14(18)16(20)8-12/h1-4,7-10H,5-6H2/b21-9+,22-10+
InChIKeyCNSSYDUTPVMOGE-VGENTYGXSA-N
XLogP4.81
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 54.81
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

Benzaldehyde, 3-chloro-, [(3-chlorophenyl)methylene]hydrazone
CID 6861557
(E,E)-bis((4-chlorophenyl)methylidene)hydrazine
CID 9566470
2-Chlorobenzaldehyde azine
CID 6861422
N,N'-Bis(4-chlorobenzylidene)ethylenediamine
CID 143703
[(4-Chlorophenyl)methylidene](methyl)amine
CID 11062589
n,n'-Bis(2,4-dichlorobenzylidene)ethylenediamine
CID 4127522
N,N'-Bis-(4-fluorobenzylidene)-ethylenediamine
CID 3300350
1,2-Bis(3-chlorobenzylidene)hydrazine
CID 249176
(1E,2E)-bis(2,4-dichlorobenzylidene)hydrazine
CID 6861497
p-Chlorobenzylidene-butyl-amine
CID 300876
N,N'-Bis(m-chlorobenzylidene)-1,6-hexanediamine
CID 52867
3,3'-Dichlorobenzaldazine
CID 5374032

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-[2-[(4-chloro-3-fluorophenyl)methylideneamino]ethyl]methanimine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-[2-[(4-chloro-3-fluorophenyl)methylideneamino]ethyl]methanimine (CID 139075489) is 1-(4-chloro-3-fluorophenyl)-N-[2-[(4-chloro-3-fluorophenyl)methylideneamino]ethyl]methanimine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-[2-[(4-chloro-3-fluorophenyl)methylideneamino]ethyl]methanimine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-[2-[(4-chloro-3-fluorophenyl)methylideneamino]ethyl]methanimine is Fc1cc(/C=N/CC/N=C/c2ccc(Cl)c(F)c2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-[2-[(4-chloro-3-fluorophenyl)methylideneamino]ethyl]methanimine?
The InChIKey is CNSSYDUTPVMOGE-VGENTYGXSA-N. The full InChI is InChI=1S/C16H12Cl2F2N2/c17-13-3-1-11(7-15(13)19)9-21-5-6-22-10-12-2-4-14(18)16(20)8-12/h1-4,7-10H,5-6H2/b21-9+,22-10+.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-[2-[(4-chloro-3-fluorophenyl)methylideneamino]ethyl]methanimine?
1-(4-chloro-3-fluorophenyl)-N-[2-[(4-chloro-3-fluorophenyl)methylideneamino]ethyl]methanimine has a molecular weight of 341.19 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-N-[2-[(4-chloro-3-fluorophenyl)methylideneamino]ethyl]methanimine is sourced from PubChem (CID 139075489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).