2-(5-bromo-2,3-difluorophenoxy)ethanimidamide

C8H7BrF2N2O — CID 107099812

IUPAC2-(5-bromo-2,3-difluorophenoxy)ethanimidamide
SMILES[H]/N=C(\N)COc1cc(Br)cc(F)c1F
InChIInChI=1S/C8H7BrF2N2O/c9-4-1-5(10)8(11)6(2-4)14-3-7(12)13/h1-2H,3H2,(H3,12,13)
InChIKeyVERPWMUOTWZZAQ-UHFFFAOYSA-N
MW265.06 g/mol
LogP2.04
Rot. Bonds3

About 2-(5-bromo-2,3-difluorophenoxy)ethanimidamide

2-(5-bromo-2,3-difluorophenoxy)ethanimidamide (PubChem CID 107099812) has the molecular formula C8H7BrF2N2O and a molecular weight of 265.06 g/mol. Its IUPAC name is 2-(5-bromo-2,3-difluorophenoxy)ethanimidamide.

Molecular Properties

Compound Name2-(5-bromo-2,3-difluorophenoxy)ethanimidamide
PubChem CID107099812
Molecular FormulaC8H7BrF2N2O
Molecular Weight265.06 g/mol
Exact Mass263.97
IUPAC Name2-(5-bromo-2,3-difluorophenoxy)ethanimidamide
SMILES[H]/N=C(\N)COc1cc(Br)cc(F)c1F
InChIInChI=1S/C8H7BrF2N2O/c9-4-1-5(10)8(11)6(2-4)14-3-7(12)13/h1-2H,3H2,(H3,12,13)
InChIKeyVERPWMUOTWZZAQ-UHFFFAOYSA-N
XLogP2.04
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.06
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-2,3-difluorophenoxy)ethanethioamide
CID 107098426
2-(5-bromo-2,3-difluorophenoxy)butanimidamide
CID 107099813
2-(3-bromo-4-fluorophenoxy)ethanimidamide
CID 83234459
1-(5-bromo-2,3-difluorophenoxy)-3-methoxypropan-2-one
CID 107508257
2-(5-bromo-2,3-difluorophenoxy)-1-(4-bromophenyl)ethanone
CID 107100337
4-(5-bromo-2,3-difluorophenoxy)-3-chlorobenzenecarboximidamide
CID 107099791
2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanimidamide
CID 103483313
1-(5-bromo-2,3-difluorophenoxy)-2-methylbutan-2-ol
CID 107100783
2-(5-bromo-3-fluoro-2-hydroxyphenyl)ethanimidamide
CID 83900141
5-bromo-1-but-3-ynoxy-2,3-difluorobenzene
CID 107098780
5-bromo-1,2-difluoro-3-pent-4-ynoxybenzene
CID 107098739
(E)-4-(5-bromo-2,3-difluorophenoxy)but-2-en-1-amine
CID 107099666

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)ethanimidamide?
The IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)ethanimidamide (CID 107099812) is 2-(5-bromo-2,3-difluorophenoxy)ethanimidamide.
What is the SMILES notation for 2-(5-bromo-2,3-difluorophenoxy)ethanimidamide?
The canonical SMILES for 2-(5-bromo-2,3-difluorophenoxy)ethanimidamide is [H]/N=C(\N)COc1cc(Br)cc(F)c1F.
What is the InChIKey of 2-(5-bromo-2,3-difluorophenoxy)ethanimidamide?
The InChIKey is VERPWMUOTWZZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2N2O/c9-4-1-5(10)8(11)6(2-4)14-3-7(12)13/h1-2H,3H2,(H3,12,13).
What are the key properties of 2-(5-bromo-2,3-difluorophenoxy)ethanimidamide?
2-(5-bromo-2,3-difluorophenoxy)ethanimidamide has a molecular weight of 265.06 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-difluorophenoxy)ethanimidamide is sourced from PubChem (CID 107099812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).