ethyl 2-(2,5-dibromo-3,4-difluorophenyl)acetate

C10H8Br2F2O2 — CID 121227988

IUPACethyl 2-(2,5-dibromo-3,4-difluorophenyl)acetate
SMILESCCOC(=O)Cc1cc(Br)c(F)c(F)c1Br
InChIInChI=1S/C10H8Br2F2O2/c1-2-16-7(15)4-5-3-6(11)9(13)10(14)8(5)12/h3H,2,4H2,1H3
InChIKeyRJEGNPPGBSVERC-UHFFFAOYSA-N
MW357.98 g/mol
LogP3.60
Rot. Bonds3

About ethyl 2-(2,5-dibromo-3,4-difluorophenyl)acetate

ethyl 2-(2,5-dibromo-3,4-difluorophenyl)acetate (PubChem CID 121227988) has the molecular formula C10H8Br2F2O2 and a molecular weight of 357.98 g/mol. Its IUPAC name is ethyl 2-(2,5-dibromo-3,4-difluorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,5-dibromo-3,4-difluorophenyl)acetate
PubChem CID121227988
Molecular FormulaC10H8Br2F2O2
Molecular Weight357.98 g/mol
Exact Mass355.89
IUPAC Nameethyl 2-(2,5-dibromo-3,4-difluorophenyl)acetate
SMILESCCOC(=O)Cc1cc(Br)c(F)c(F)c1Br
InChIInChI=1S/C10H8Br2F2O2/c1-2-16-7(15)4-5-3-6(11)9(13)10(14)8(5)12/h3H,2,4H2,1H3
InChIKeyRJEGNPPGBSVERC-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.98
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(4-bromo-2,3,6-trifluorophenyl)acetate
CID 134633247
ethyl 2-(3,5-dibromo-2-fluorophenyl)acetate
CID 121228103
ethyl 2-(5-amino-3-bromo-2-fluorophenyl)acetate
CID 171020094
ethyl 2-(3-amino-5-bromo-4-fluorophenyl)acetate
CID 171019379
ethyl 2-(2,3-dibromo-5-chlorophenyl)acetate
CID 171033815
ethyl 2-(2-bromo-4-fluoro-5-methylphenyl)acetate
CID 171033782
ethyl 2-(2-bromo-4-fluoro-5-hydroxyphenyl)acetate
CID 59377674
ethyl 2-(4-amino-2-bromophenyl)acetate
CID 170997064
ethyl 2-(4-bromo-6-fluoro-3-pyridinyl)acetate
CID 133098174
ethyl 2-(4-bromo-2-fluoro-3-nitrophenyl)acetate
CID 134633251
ethyl 2-[3-(bromomethyl)-2-fluoro-5-methylphenyl]acetate
CID 171017762
ethyl 2-(2-bromo-4-iodophenyl)acetate
CID 131871493

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5-dibromo-3,4-difluorophenyl)acetate?
The IUPAC name of ethyl 2-(2,5-dibromo-3,4-difluorophenyl)acetate (CID 121227988) is ethyl 2-(2,5-dibromo-3,4-difluorophenyl)acetate.
What is the SMILES notation for ethyl 2-(2,5-dibromo-3,4-difluorophenyl)acetate?
The canonical SMILES for ethyl 2-(2,5-dibromo-3,4-difluorophenyl)acetate is CCOC(=O)Cc1cc(Br)c(F)c(F)c1Br.
What is the InChIKey of ethyl 2-(2,5-dibromo-3,4-difluorophenyl)acetate?
The InChIKey is RJEGNPPGBSVERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2F2O2/c1-2-16-7(15)4-5-3-6(11)9(13)10(14)8(5)12/h3H,2,4H2,1H3.
What are the key properties of ethyl 2-(2,5-dibromo-3,4-difluorophenyl)acetate?
ethyl 2-(2,5-dibromo-3,4-difluorophenyl)acetate has a molecular weight of 357.98 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,5-dibromo-3,4-difluorophenyl)acetate is sourced from PubChem (CID 121227988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).