2-[2-bromo-5-(trifluoromethyl)phenyl]-N-methylethanimine

C10H9BrF3N — CID 91108590

IUPAC2-[2-bromo-5-(trifluoromethyl)phenyl]-N-methylethanimine
SMILESC/N=C/Cc1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C10H9BrF3N/c1-15-5-4-7-6-8(10(12,13)14)2-3-9(7)11/h2-3,5-6H,4H2,1H3/b15-5+
InChIKeyZMGIZFDTYWORSL-PJQLUOCWSA-N
MW280.09 g/mol
LogP3.71
Rot. Bonds2

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

2-[2-bromo-5-(trifluoromethyl)phenyl]-N-methylethanimine (PubChem CID 91108590) has the molecular formula C10H9BrF3N and a molecular weight of 280.09 g/mol. Its IUPAC name is 2-[2-bromo-5-(trifluoromethyl)phenyl]-N-methylethanimine.

Molecular Properties

Compound Name2-[2-bromo-5-(trifluoromethyl)phenyl]-N-methylethanimine
PubChem CID91108590
Molecular FormulaC10H9BrF3N
Molecular Weight280.09 g/mol
Exact Mass278.99
IUPAC Name2-[2-bromo-5-(trifluoromethyl)phenyl]-N-methylethanimine
SMILESC/N=C/Cc1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C10H9BrF3N/c1-15-5-4-7-6-8(10(12,13)14)2-3-9(7)11/h2-3,5-6H,4H2,1H3/b15-5+
InChIKeyZMGIZFDTYWORSL-PJQLUOCWSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.09
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Bromo-2-(4-methylpent-3-en-1-yl)-4-(trifluoromethyl)benzene
CID 172419197
N-Methyl-O-bromobenzylidinimine
CID 523150
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanimine
CID 23198812
1-Bromo-4-ethyl-2-(trifluoromethyl)benzene
CID 68072409
4-Bromo-3-(1-propyl)benzotrifluoride
CID 69108822
1-Bromo-4-ethyl-2-(2,2,2-trifluoroethyl)benzene
CID 70832812
N-{(E)-[2-bromo-5-(trifluoromethyl)phenyl]methylidene}-2-methylpropane-2-sulfinamide
CID 86682267
1-(2-bromo-5-fluorophenyl)-N-but-3-enylmethanimine
CID 89190190
(NE)-N-[[2-bromo-5-(trifluoromethyl)phenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 89522283
1-Bromo-2-ethyl-4-(trifluoromethyl)benzene
CID 91291474
(NE)-N-[[4-bromo-3-(trifluoromethyl)phenyl]methylidene]hydroxylamine
CID 118046913
(NE)-N-[[4-bromo-3-(2,2,2-trifluoroethyl)phenyl]methylidene]hydroxylamine
CID 118046956

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-5-(trifluoromethyl)phenyl]-N-methylethanimine?
The IUPAC name of 2-[2-bromo-5-(trifluoromethyl)phenyl]-N-methylethanimine (CID 91108590) is 2-[2-bromo-5-(trifluoromethyl)phenyl]-N-methylethanimine.
What is the SMILES notation for 2-[2-bromo-5-(trifluoromethyl)phenyl]-N-methylethanimine?
The canonical SMILES for 2-[2-bromo-5-(trifluoromethyl)phenyl]-N-methylethanimine is C/N=C/Cc1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of 2-[2-bromo-5-(trifluoromethyl)phenyl]-N-methylethanimine?
The InChIKey is ZMGIZFDTYWORSL-PJQLUOCWSA-N. The full InChI is InChI=1S/C10H9BrF3N/c1-15-5-4-7-6-8(10(12,13)14)2-3-9(7)11/h2-3,5-6H,4H2,1H3/b15-5+.
What are the key properties of 2-[2-bromo-5-(trifluoromethyl)phenyl]-N-methylethanimine?
2-[2-bromo-5-(trifluoromethyl)phenyl]-N-methylethanimine has a molecular weight of 280.09 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-5-(trifluoromethyl)phenyl]-N-methylethanimine is sourced from PubChem (CID 91108590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).