ethyl 2-bromo-3-(2-bromo-4,6-difluorophenyl)propanoate

C11H10Br2F2O2 — CID 83197948

IUPACethyl 2-bromo-3-(2-bromo-4,6-difluorophenyl)propanoate
SMILESCCOC(=O)C(Br)Cc1c(F)cc(F)cc1Br
InChIInChI=1S/C11H10Br2F2O2/c1-2-17-11(16)9(13)5-7-8(12)3-6(14)4-10(7)15/h3-4,9H,2,5H2,1H3
InChIKeyXOZRQFREHWBIMC-UHFFFAOYSA-N
MW372.00 g/mol
LogP3.60
Rot. Bonds4

About ethyl 2-bromo-3-(2-bromo-4,6-difluorophenyl)propanoate

ethyl 2-bromo-3-(2-bromo-4,6-difluorophenyl)propanoate (PubChem CID 83197948) has the molecular formula C11H10Br2F2O2 and a molecular weight of 372.00 g/mol. Its IUPAC name is ethyl 2-bromo-3-(2-bromo-4,6-difluorophenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-bromo-3-(2-bromo-4,6-difluorophenyl)propanoate
PubChem CID83197948
Molecular FormulaC11H10Br2F2O2
Molecular Weight372.00 g/mol
Exact Mass369.90
IUPAC Nameethyl 2-bromo-3-(2-bromo-4,6-difluorophenyl)propanoate
SMILESCCOC(=O)C(Br)Cc1c(F)cc(F)cc1Br
InChIInChI=1S/C11H10Br2F2O2/c1-2-17-11(16)9(13)5-7-8(12)3-6(14)4-10(7)15/h3-4,9H,2,5H2,1H3
InChIKeyXOZRQFREHWBIMC-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.00
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-(2-bromo-4,6-difluorophenyl)pentan-3-one
CID 62395711
2-bromo-1-(2-bromo-4,6-difluorophenyl)-4-methylpentan-3-one
CID 62395712
ethyl 2-bromo-3-(2,3,4,5,6-pentafluorophenyl)propanoate
CID 83197488
ethyl 2-chloro-3-(2,4,6-trifluorophenyl)propanoate
CID 83197240
2-bromo-3-(2-bromo-4,6-difluorophenyl)-1-cyclopropylpropan-1-one
CID 62395713
ethyl 2-bromo-3-(5-bromo-2-fluorophenyl)propanoate
CID 83197556
methyl 2-(2-bromo-4,6-difluorophenyl)acetate
CID 130729909
ethyl 2-bromo-2-(4-bromo-3-fluorophenyl)acetate
CID 166470674
ethyl 2-bromo-3-(5-chloro-2-fluorophenyl)propanoate
CID 83197938
2-bromo-1-(2-bromo-6-chloro-4-fluorophenyl)hexan-3-one
CID 107616979
ethyl 2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate
CID 170885000
ethyl 2-(5-bromo-4-fluoro-2-hydroxyphenyl)-2-hydroxyacetate
CID 117472829

Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromo-3-(2-bromo-4,6-difluorophenyl)propanoate?
The IUPAC name of ethyl 2-bromo-3-(2-bromo-4,6-difluorophenyl)propanoate (CID 83197948) is ethyl 2-bromo-3-(2-bromo-4,6-difluorophenyl)propanoate.
What is the SMILES notation for ethyl 2-bromo-3-(2-bromo-4,6-difluorophenyl)propanoate?
The canonical SMILES for ethyl 2-bromo-3-(2-bromo-4,6-difluorophenyl)propanoate is CCOC(=O)C(Br)Cc1c(F)cc(F)cc1Br.
What is the InChIKey of ethyl 2-bromo-3-(2-bromo-4,6-difluorophenyl)propanoate?
The InChIKey is XOZRQFREHWBIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2F2O2/c1-2-17-11(16)9(13)5-7-8(12)3-6(14)4-10(7)15/h3-4,9H,2,5H2,1H3.
What are the key properties of ethyl 2-bromo-3-(2-bromo-4,6-difluorophenyl)propanoate?
ethyl 2-bromo-3-(2-bromo-4,6-difluorophenyl)propanoate has a molecular weight of 372.00 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-bromo-3-(2-bromo-4,6-difluorophenyl)propanoate is sourced from PubChem (CID 83197948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).