ethyl 2-(4-bromo-2-fluorophenyl)ethanimidate

C10H11BrFNO — CID 124705585

IUPACethyl 2-(4-bromo-2-fluorophenyl)ethanimidate
SMILES[H]/N=C(/Cc1ccc(Br)cc1F)OCC
InChIInChI=1S/C10H11BrFNO/c1-2-14-10(13)5-7-3-4-8(11)6-9(7)12/h3-4,6,13H,2,5H2,1H3/b13-10-
InChIKeyINJYAKOIUDSEGL-RAXLEYEMSA-N
MW260.11 g/mol
LogP3.14
Rot. Bonds3

About ethyl 2-(4-bromo-2-fluorophenyl)ethanimidate

ethyl 2-(4-bromo-2-fluorophenyl)ethanimidate (PubChem CID 124705585) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is ethyl 2-(4-bromo-2-fluorophenyl)ethanimidate.

Molecular Properties

Compound Nameethyl 2-(4-bromo-2-fluorophenyl)ethanimidate
PubChem CID124705585
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Nameethyl 2-(4-bromo-2-fluorophenyl)ethanimidate
SMILES[H]/N=C(/Cc1ccc(Br)cc1F)OCC
InChIInChI=1S/C10H11BrFNO/c1-2-14-10(13)5-7-3-4-8(11)6-9(7)12/h3-4,6,13H,2,5H2,1H3/b13-10-
InChIKeyINJYAKOIUDSEGL-RAXLEYEMSA-N
XLogP3.14
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 53.14
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromo-2-fluorophenyl)ethanimidate?
The IUPAC name of ethyl 2-(4-bromo-2-fluorophenyl)ethanimidate (CID 124705585) is ethyl 2-(4-bromo-2-fluorophenyl)ethanimidate.
What is the SMILES notation for ethyl 2-(4-bromo-2-fluorophenyl)ethanimidate?
The canonical SMILES for ethyl 2-(4-bromo-2-fluorophenyl)ethanimidate is [H]/N=C(/Cc1ccc(Br)cc1F)OCC.
What is the InChIKey of ethyl 2-(4-bromo-2-fluorophenyl)ethanimidate?
The InChIKey is INJYAKOIUDSEGL-RAXLEYEMSA-N. The full InChI is InChI=1S/C10H11BrFNO/c1-2-14-10(13)5-7-3-4-8(11)6-9(7)12/h3-4,6,13H,2,5H2,1H3/b13-10-.
What are the key properties of ethyl 2-(4-bromo-2-fluorophenyl)ethanimidate?
ethyl 2-(4-bromo-2-fluorophenyl)ethanimidate has a molecular weight of 260.11 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromo-2-fluorophenyl)ethanimidate is sourced from PubChem (CID 124705585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).