(E)-1-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethoxy)ethanimine

C10H9BrF3NO — CID 53484347

IUPAC(E)-1-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethoxy)ethanimine
SMILESC/C(=N\OCC(F)F)c1cccc(Br)c1F
InChIInChI=1S/C10H9BrF3NO/c1-6(15-16-5-9(12)13)7-3-2-4-8(11)10(7)14/h2-4,9H,5H2,1H3/b15-6+
InChIKeyKONLQQBTGABFGV-GIDUJCDVSA-N
MW296.09 g/mol
LogP3.59
Rot. Bonds4

About (E)-1-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethoxy)ethanimine

(E)-1-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethoxy)ethanimine (PubChem CID 53484347) has the molecular formula C10H9BrF3NO and a molecular weight of 296.09 g/mol. Its IUPAC name is (E)-1-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethoxy)ethanimine.

Molecular Properties

Compound Name(E)-1-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethoxy)ethanimine
PubChem CID53484347
Molecular FormulaC10H9BrF3NO
Molecular Weight296.09 g/mol
Exact Mass294.98
IUPAC Name(E)-1-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethoxy)ethanimine
SMILESC/C(=N\OCC(F)F)c1cccc(Br)c1F
InChIInChI=1S/C10H9BrF3NO/c1-6(15-16-5-9(12)13)7-3-2-4-8(11)10(7)14/h2-4,9H,5H2,1H3/b15-6+
InChIKeyKONLQQBTGABFGV-GIDUJCDVSA-N
XLogP3.59
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.09
LogP ≤ 53.59
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

4-[1-(3-bromo-2-fluorophenyl)ethylideneamino]oxybutanoic acid
CID 75689962
methyl (2E)-2-[2-[[(E)-1-(3-bromo-2-fluorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate
CID 157023853
3-bromo-N-ethoxy-2-fluorobenzamide
CID 106547791
1-bromo-3-[2-(2,2-difluoroethoxy)ethoxy]-2-fluorobenzene
CID 167882295
3-amino-1-(3-bromo-2-fluorophenyl)butan-1-one
CID 106647112
(3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 114020633
N-[[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]methyl]acetamide
CID 106544352
3-amino-1-(3-bromo-2-fluorophenyl)-2-methylbutan-1-one
CID 106647287
3-bromo-2-fluoro-N-methyl-N-propan-2-ylbenzamide
CID 106544486
3-bromo-2-fluoro-N,N-dimethylbenzamide
CID 59375042
1-(3-bromo-2-fluorophenyl)-2-ethoxypentan-1-one
CID 106644947
1-(3-bromo-2-fluorophenyl)-2-ethoxy-3,3-dimethylbutan-1-one
CID 106644954

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethoxy)ethanimine?
The IUPAC name of (E)-1-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethoxy)ethanimine (CID 53484347) is (E)-1-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethoxy)ethanimine.
What is the SMILES notation for (E)-1-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethoxy)ethanimine?
The canonical SMILES for (E)-1-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethoxy)ethanimine is C/C(=N\OCC(F)F)c1cccc(Br)c1F.
What is the InChIKey of (E)-1-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethoxy)ethanimine?
The InChIKey is KONLQQBTGABFGV-GIDUJCDVSA-N. The full InChI is InChI=1S/C10H9BrF3NO/c1-6(15-16-5-9(12)13)7-3-2-4-8(11)10(7)14/h2-4,9H,5H2,1H3/b15-6+.
What are the key properties of (E)-1-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethoxy)ethanimine?
(E)-1-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethoxy)ethanimine has a molecular weight of 296.09 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethoxy)ethanimine is sourced from PubChem (CID 53484347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).