N-(4-bromophenyl)-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanimine

C18H11BrF3NO — CID 50885219

IUPACN-(4-bromophenyl)-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanimine
SMILESFC(F)(F)c1cccc(-c2ccc(/C=N/c3ccc(Br)cc3)o2)c1
InChIInChI=1S/C18H11BrF3NO/c19-14-4-6-15(7-5-14)23-11-16-8-9-17(24-16)12-2-1-3-13(10-12)18(20,21)22/h1-11H/b23-11+
InChIKeyJFQCHQLJQSYBES-FOKLQQMPSA-N
MW394.19 g/mol
LogP6.48
Rot. Bonds3

About N-(4-bromophenyl)-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanimine

N-(4-bromophenyl)-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanimine (PubChem CID 50885219) has the molecular formula C18H11BrF3NO and a molecular weight of 394.19 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanimine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanimine
PubChem CID50885219
Molecular FormulaC18H11BrF3NO
Molecular Weight394.19 g/mol
Exact Mass393.00
IUPAC NameN-(4-bromophenyl)-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanimine
SMILESFC(F)(F)c1cccc(-c2ccc(/C=N/c3ccc(Br)cc3)o2)c1
InChIInChI=1S/C18H11BrF3NO/c19-14-4-6-15(7-5-14)23-11-16-8-9-17(24-16)12-2-1-3-13(10-12)18(20,21)22/h1-11H/b23-11+
InChIKeyJFQCHQLJQSYBES-FOKLQQMPSA-N
XLogP6.48
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.19
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanimine?
The IUPAC name of N-(4-bromophenyl)-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanimine (CID 50885219) is N-(4-bromophenyl)-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanimine.
What is the SMILES notation for N-(4-bromophenyl)-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanimine?
The canonical SMILES for N-(4-bromophenyl)-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanimine is FC(F)(F)c1cccc(-c2ccc(/C=N/c3ccc(Br)cc3)o2)c1.
What is the InChIKey of N-(4-bromophenyl)-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanimine?
The InChIKey is JFQCHQLJQSYBES-FOKLQQMPSA-N. The full InChI is InChI=1S/C18H11BrF3NO/c19-14-4-6-15(7-5-14)23-11-16-8-9-17(24-16)12-2-1-3-13(10-12)18(20,21)22/h1-11H/b23-11+.
What are the key properties of N-(4-bromophenyl)-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanimine?
N-(4-bromophenyl)-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanimine has a molecular weight of 394.19 g/mol, XLogP of 6.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanimine is sourced from PubChem (CID 50885219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).