2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanimidamide

C8H7BrFN3O3 — CID 103483313

IUPAC2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanimidamide
SMILES[H]/N=C(\N)COc1cc(F)c(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C8H7BrFN3O3/c9-4-1-6(13(14)15)7(2-5(4)10)16-3-8(11)12/h1-2H,3H2,(H3,11,12)
InChIKeyTZDINYOTTZIYNP-UHFFFAOYSA-N
MW292.06 g/mol
LogP1.81
Rot. Bonds4

About 2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanimidamide

2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanimidamide (PubChem CID 103483313) has the molecular formula C8H7BrFN3O3 and a molecular weight of 292.06 g/mol. Its IUPAC name is 2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanimidamide.

Molecular Properties

Compound Name2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanimidamide
PubChem CID103483313
Molecular FormulaC8H7BrFN3O3
Molecular Weight292.06 g/mol
Exact Mass290.97
IUPAC Name2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanimidamide
SMILES[H]/N=C(\N)COc1cc(F)c(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C8H7BrFN3O3/c9-4-1-6(13(14)15)7(2-5(4)10)16-3-8(11)12/h1-2H,3H2,(H3,11,12)
InChIKeyTZDINYOTTZIYNP-UHFFFAOYSA-N
XLogP1.81
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.06
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-5-fluoro-2-nitrophenoxy)butan-2-one
CID 103483442
1-bromo-2-fluoro-4-(fluoromethoxy)-5-nitrobenzene
CID 118852889
2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanol
CID 103483928
1-bromo-2-fluoro-5-(fluoromethoxy)-4-nitrobenzene
CID 118807797
1-bromo-2-fluoro-5-nitro-4-tetradecoxybenzene
CID 175497603
2-(4-bromo-5-fluoro-2-nitrophenoxy)-N-methylethanamine
CID 66110128
2-(4-bromo-5-fluoro-2-nitrophenoxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 103483425
methyl 3-(4-bromo-5-fluoro-2-nitrophenoxy)-2-(methylamino)propanoate
CID 103484044
2-[2-(4-bromo-5-fluoro-2-nitrophenoxy)ethoxy]ethanesulfonamide
CID 103484224
6-(4-bromo-5-fluoro-2-nitrophenoxy)hexan-3-one
CID 106802191
2-(3-bromo-4-fluorophenoxy)ethanimidamide
CID 83234459
3-(4-bromo-5-fluoro-2-nitrophenoxy)-2,2-dimethylpropane-1-sulfonyl chloride
CID 103484184

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanimidamide?
The IUPAC name of 2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanimidamide (CID 103483313) is 2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanimidamide.
What is the SMILES notation for 2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanimidamide?
The canonical SMILES for 2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanimidamide is [H]/N=C(\N)COc1cc(F)c(Br)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanimidamide?
The InChIKey is TZDINYOTTZIYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFN3O3/c9-4-1-6(13(14)15)7(2-5(4)10)16-3-8(11)12/h1-2H,3H2,(H3,11,12).
What are the key properties of 2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanimidamide?
2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanimidamide has a molecular weight of 292.06 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanimidamide is sourced from PubChem (CID 103483313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).