2-(3-bromo-4-fluorophenoxy)ethanimidamide

C8H8BrFN2O — CID 83234459

IUPAC2-(3-bromo-4-fluorophenoxy)ethanimidamide
SMILES[H]/N=C(\N)COc1ccc(F)c(Br)c1
InChIInChI=1S/C8H8BrFN2O/c9-6-3-5(1-2-7(6)10)13-4-8(11)12/h1-3H,4H2,(H3,11,12)
InChIKeyHCPGERNQVWZXCG-UHFFFAOYSA-N
MW247.07 g/mol
LogP1.90
Rot. Bonds3

About 2-(3-bromo-4-fluorophenoxy)ethanimidamide

2-(3-bromo-4-fluorophenoxy)ethanimidamide (PubChem CID 83234459) has the molecular formula C8H8BrFN2O and a molecular weight of 247.07 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenoxy)ethanimidamide.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenoxy)ethanimidamide
PubChem CID83234459
Molecular FormulaC8H8BrFN2O
Molecular Weight247.07 g/mol
Exact Mass245.98
IUPAC Name2-(3-bromo-4-fluorophenoxy)ethanimidamide
SMILES[H]/N=C(\N)COc1ccc(F)c(Br)c1
InChIInChI=1S/C8H8BrFN2O/c9-6-3-5(1-2-7(6)10)13-4-8(11)12/h1-3H,4H2,(H3,11,12)
InChIKeyHCPGERNQVWZXCG-UHFFFAOYSA-N
XLogP1.90
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.07
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-4-fluorophenoxy)ethanimidamide
CID 63878137
2-(3-bromo-4-fluorophenoxy)acetic acid
CID 83231542
2-bromo-4-(2-chloroprop-2-enoxy)-1-fluorobenzene
CID 83231625
3-[(3-bromo-4-fluorophenoxy)methyl]pyridine-2-carboximidamide
CID 83234793
2-(5-bromo-2,3-difluorophenoxy)ethanimidamide
CID 107099812
2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanimidamide
CID 103483313
2-[4-(trifluoromethoxy)phenoxy]ethanimidamide
CID 83396669
3-(3-bromo-4-fluorophenoxy)pyridine-2-carboximidamide
CID 83234285
2-(4-chloro-3-methylphenoxy)ethanimidamide
CID 43185947
6-(3-bromo-4-fluorophenoxy)pyridine-3-carboximidamide
CID 83235122
2-bromo-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide
CID 107536819
2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 83234474

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenoxy)ethanimidamide?
The IUPAC name of 2-(3-bromo-4-fluorophenoxy)ethanimidamide (CID 83234459) is 2-(3-bromo-4-fluorophenoxy)ethanimidamide.
What is the SMILES notation for 2-(3-bromo-4-fluorophenoxy)ethanimidamide?
The canonical SMILES for 2-(3-bromo-4-fluorophenoxy)ethanimidamide is [H]/N=C(\N)COc1ccc(F)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenoxy)ethanimidamide?
The InChIKey is HCPGERNQVWZXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFN2O/c9-6-3-5(1-2-7(6)10)13-4-8(11)12/h1-3H,4H2,(H3,11,12).
What are the key properties of 2-(3-bromo-4-fluorophenoxy)ethanimidamide?
2-(3-bromo-4-fluorophenoxy)ethanimidamide has a molecular weight of 247.07 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenoxy)ethanimidamide is sourced from PubChem (CID 83234459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).