1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine

C10H9BrF3NO — CID 123834003

IUPAC1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine
SMILESCON=C(C)c1cc(Br)ccc1C(F)(F)F
InChIInChI=1S/C10H9BrF3NO/c1-6(15-16-2)8-5-7(11)3-4-9(8)10(12,13)14/h3-5H,1-2H3
InChIKeyGGVOGDVUJQWGLL-UHFFFAOYSA-N
MW296.09 g/mol
LogP3.84
Rot. Bonds2

About 1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine

1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine (PubChem CID 123834003) has the molecular formula C10H9BrF3NO and a molecular weight of 296.09 g/mol. Its IUPAC name is 1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine.

Molecular Properties

Compound Name1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine
PubChem CID123834003
Molecular FormulaC10H9BrF3NO
Molecular Weight296.09 g/mol
Exact Mass294.98
IUPAC Name1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine
SMILESCON=C(C)c1cc(Br)ccc1C(F)(F)F
InChIInChI=1S/C10H9BrF3NO/c1-6(15-16-2)8-5-7(11)3-4-9(8)10(12,13)14/h3-5H,1-2H3
InChIKeyGGVOGDVUJQWGLL-UHFFFAOYSA-N
XLogP3.84
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.09
LogP ≤ 53.84
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

1-(3-Bromophenyl)ethanone oxime
CID 9584507
p-Bromoacetophenone oxime, (Z)-
CID 6339226
(Z)-2-bromo-1-(4-bromophenyl)-N-methoxyethanimine
CID 10902866
p-Bromoacetophenone oxime, (E)-
CID 5398499
(NE)-N-[[4-bromo-2-(trifluoromethyl)phenyl]methylidene]hydroxylamine
CID 73053788
(E)-1-(4-bromo-2-fluorophenyl)-N-methoxyethanimine
CID 88046010
(E,Z)-4-(4-bromophenyl)-3-fluoro-N-methoxybut-3-en-2-imine
CID 16038658
1-(4-Bromophenyl)ethanone oxime
CID 730051
1-Propanone, 1-(4-bromophenyl)-, oxime
CID 10489503
(E)-1-(3-bromophenyl)-N-methoxyethanimine
CID 11651524
(E)-1-(4-bromophenyl)-N-methoxyethanimine
CID 52540036
(E)-8-bromo-N-methoxy-3,4-dihydro-2H-naphthalen-1-imine
CID 132230012

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine?
The IUPAC name of 1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine (CID 123834003) is 1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine.
What is the SMILES notation for 1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine?
The canonical SMILES for 1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine is CON=C(C)c1cc(Br)ccc1C(F)(F)F.
What is the InChIKey of 1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine?
The InChIKey is GGVOGDVUJQWGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3NO/c1-6(15-16-2)8-5-7(11)3-4-9(8)10(12,13)14/h3-5H,1-2H3.
What are the key properties of 1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine?
1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine has a molecular weight of 296.09 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine is sourced from PubChem (CID 123834003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).