ethyl 3-(2-bromo-5-fluorophenyl)prop-2-enoate

C11H10BrFO2 — CID 74320921

IUPACethyl 3-(2-bromo-5-fluorophenyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1cc(F)ccc1Br
InChIInChI=1S/C11H10BrFO2/c1-2-15-11(14)6-3-8-7-9(13)4-5-10(8)12/h3-7H,2H2,1H3
InChIKeyJAFIOWCAGJXICU-UHFFFAOYSA-N
MW273.10 g/mol
LogP3.16
Rot. Bonds3

About ethyl 3-(2-bromo-5-fluorophenyl)prop-2-enoate

ethyl 3-(2-bromo-5-fluorophenyl)prop-2-enoate (PubChem CID 74320921) has the molecular formula C11H10BrFO2 and a molecular weight of 273.10 g/mol. Its IUPAC name is ethyl 3-(2-bromo-5-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(2-bromo-5-fluorophenyl)prop-2-enoate
PubChem CID74320921
Molecular FormulaC11H10BrFO2
Molecular Weight273.10 g/mol
Exact Mass271.98
IUPAC Nameethyl 3-(2-bromo-5-fluorophenyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1cc(F)ccc1Br
InChIInChI=1S/C11H10BrFO2/c1-2-15-11(14)6-3-8-7-9(13)4-5-10(8)12/h3-7H,2H2,1H3
InChIKeyJAFIOWCAGJXICU-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-(2-bromo-5-chlorophenyl)prop-2-enoate
CID 139488565
ethyl (Z)-3-(5-fluoro-2-hydroxyphenyl)prop-2-enoate
CID 90656941
ethyl (E)-3-(5-fluoro-2-hydroxyphenyl)prop-2-enoate
CID 23919060
ethyl (E)-3-(2-bromo-5-methoxyphenyl)prop-2-enoate
CID 86584745
ethyl (E)-3-[2-(2,2-dibromoethenyl)-5-fluorophenyl]prop-2-enoate
CID 102045662
ethyl 3-(2-amino-4-fluorophenyl)prop-2-enoate
CID 169480131
ethyl (E)-3-(5-fluoro-2-methoxyphenyl)prop-2-enoate
CID 10537093
ethyl (E)-3-(2-cyano-5-fluorophenyl)prop-2-enoate
CID 57408075
ethyl (E)-3-(2-bromo-4-hydroxyphenyl)prop-2-enoate
CID 118198345
ethyl (E)-3-[5-fluoro-2-(3-oxobutyl)phenyl]prop-2-enoate
CID 24806982
ethyl (E)-3-(5-fluoro-1H-indol-3-yl)prop-2-enoate
CID 171922360
ethyl (E)-3-(6-bromo-2-fluoro-3-pyridinyl)prop-2-enoate
CID 142420383

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-bromo-5-fluorophenyl)prop-2-enoate?
The IUPAC name of ethyl 3-(2-bromo-5-fluorophenyl)prop-2-enoate (CID 74320921) is ethyl 3-(2-bromo-5-fluorophenyl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(2-bromo-5-fluorophenyl)prop-2-enoate?
The canonical SMILES for ethyl 3-(2-bromo-5-fluorophenyl)prop-2-enoate is CCOC(=O)C=Cc1cc(F)ccc1Br.
What is the InChIKey of ethyl 3-(2-bromo-5-fluorophenyl)prop-2-enoate?
The InChIKey is JAFIOWCAGJXICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFO2/c1-2-15-11(14)6-3-8-7-9(13)4-5-10(8)12/h3-7H,2H2,1H3.
What are the key properties of ethyl 3-(2-bromo-5-fluorophenyl)prop-2-enoate?
ethyl 3-(2-bromo-5-fluorophenyl)prop-2-enoate has a molecular weight of 273.10 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-bromo-5-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 74320921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).