(E)-1-(2-bromo-5-fluorophenyl)-N-methoxymethanimine

C8H7BrFNO — CID 53468138

IUPAC(E)-1-(2-bromo-5-fluorophenyl)-N-methoxymethanimine
SMILESCO/N=C/c1cc(F)ccc1Br
InChIInChI=1S/C8H7BrFNO/c1-12-11-5-6-4-7(10)2-3-8(6)9/h2-5H,1H3/b11-5+
InChIKeyYHTZMWKAZAXLTK-VZUCSPMQSA-N
MW232.05 g/mol
LogP2.57
Rot. Bonds2

About (E)-1-(2-bromo-5-fluorophenyl)-N-methoxymethanimine

(E)-1-(2-bromo-5-fluorophenyl)-N-methoxymethanimine (PubChem CID 53468138) has the molecular formula C8H7BrFNO and a molecular weight of 232.05 g/mol. Its IUPAC name is (E)-1-(2-bromo-5-fluorophenyl)-N-methoxymethanimine.

Molecular Properties

Compound Name(E)-1-(2-bromo-5-fluorophenyl)-N-methoxymethanimine
PubChem CID53468138
Molecular FormulaC8H7BrFNO
Molecular Weight232.05 g/mol
Exact Mass230.97
IUPAC Name(E)-1-(2-bromo-5-fluorophenyl)-N-methoxymethanimine
SMILESCO/N=C/c1cc(F)ccc1Br
InChIInChI=1S/C8H7BrFNO/c1-12-11-5-6-4-7(10)2-3-8(6)9/h2-5H,1H3/b11-5+
InChIKeyYHTZMWKAZAXLTK-VZUCSPMQSA-N
XLogP2.57
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.05
LogP ≤ 52.57
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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Related Compounds

(NE,S)-N-[(2-bromo-5-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 71725992
1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxymethanimine
CID 72558107
(E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxymethanimine
CID 135083783
4-fluoro-5-[(E)-methoxyiminomethyl]benzene-1,2-diol
CID 136661646
(E)-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methoxymethanimine
CID 91937675
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 9016566
methyl (2E)-2-[(2Z)-2-[(2-bromo-5-fluorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 172924397
ethyl 3-(2-bromo-5-fluorophenyl)prop-2-enoate
CID 74320921
1-(3-bromo-4-methoxyphenyl)-N-methoxymethanimine
CID 4181314
2-(2-bromo-4-methoxyphenoxy)-5-fluorobenzaldehyde
CID 104707930
methyl (E)-3-[5-bromo-2-[(E)-methoxyiminomethyl]phenyl]prop-2-enoate
CID 59052935
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]methanamine
CID 143158579

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-bromo-5-fluorophenyl)-N-methoxymethanimine?
The IUPAC name of (E)-1-(2-bromo-5-fluorophenyl)-N-methoxymethanimine (CID 53468138) is (E)-1-(2-bromo-5-fluorophenyl)-N-methoxymethanimine.
What is the SMILES notation for (E)-1-(2-bromo-5-fluorophenyl)-N-methoxymethanimine?
The canonical SMILES for (E)-1-(2-bromo-5-fluorophenyl)-N-methoxymethanimine is CO/N=C/c1cc(F)ccc1Br.
What is the InChIKey of (E)-1-(2-bromo-5-fluorophenyl)-N-methoxymethanimine?
The InChIKey is YHTZMWKAZAXLTK-VZUCSPMQSA-N. The full InChI is InChI=1S/C8H7BrFNO/c1-12-11-5-6-4-7(10)2-3-8(6)9/h2-5H,1H3/b11-5+.
What are the key properties of (E)-1-(2-bromo-5-fluorophenyl)-N-methoxymethanimine?
(E)-1-(2-bromo-5-fluorophenyl)-N-methoxymethanimine has a molecular weight of 232.05 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-bromo-5-fluorophenyl)-N-methoxymethanimine is sourced from PubChem (CID 53468138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).