N-[(4-bromophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine

C15H12BrF2NO — CID 2799914

IUPACN-[(4-bromophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine
SMILESCC(=NOCc1ccc(Br)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H12BrF2NO/c1-10(12-4-7-14(17)15(18)8-12)19-20-9-11-2-5-13(16)6-3-11/h2-8H,9H2,1H3
InChIKeyLRSNOJYYFIVDST-UHFFFAOYSA-N
MW340.17 g/mol
LogP4.67
Rot. Bonds4

About N-[(4-bromophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine

N-[(4-bromophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine (PubChem CID 2799914) has the molecular formula C15H12BrF2NO and a molecular weight of 340.17 g/mol. Its IUPAC name is N-[(4-bromophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine
PubChem CID2799914
Molecular FormulaC15H12BrF2NO
Molecular Weight340.17 g/mol
Exact Mass339.01
IUPAC NameN-[(4-bromophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine
SMILESCC(=NOCc1ccc(Br)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H12BrF2NO/c1-10(12-4-7-14(17)15(18)8-12)19-20-9-11-2-5-13(16)6-3-11/h2-8H,9H2,1H3
InChIKeyLRSNOJYYFIVDST-UHFFFAOYSA-N
XLogP4.67
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine?
The IUPAC name of N-[(4-bromophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine (CID 2799914) is N-[(4-bromophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine.
What is the SMILES notation for N-[(4-bromophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine?
The canonical SMILES for N-[(4-bromophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine is CC(=NOCc1ccc(Br)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(4-bromophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine?
The InChIKey is LRSNOJYYFIVDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO/c1-10(12-4-7-14(17)15(18)8-12)19-20-9-11-2-5-13(16)6-3-11/h2-8H,9H2,1H3.
What are the key properties of N-[(4-bromophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine?
N-[(4-bromophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine has a molecular weight of 340.17 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine is sourced from PubChem (CID 2799914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).