ethyl 3,5-dibromo-2-(difluoromethoxy)benzoate

C10H8Br2F2O3 — CID 134632750

IUPACethyl 3,5-dibromo-2-(difluoromethoxy)benzoate
SMILESCCOC(=O)c1cc(Br)cc(Br)c1OC(F)F
InChIInChI=1S/C10H8Br2F2O3/c1-2-16-9(15)6-3-5(11)4-7(12)8(6)17-10(13)14/h3-4,10H,2H2,1H3
InChIKeyDVZONQGPBYDXOT-UHFFFAOYSA-N
MW373.98 g/mol
LogP3.99
Rot. Bonds4

About ethyl 3,5-dibromo-2-(difluoromethoxy)benzoate

ethyl 3,5-dibromo-2-(difluoromethoxy)benzoate (PubChem CID 134632750) has the molecular formula C10H8Br2F2O3 and a molecular weight of 373.98 g/mol. Its IUPAC name is ethyl 3,5-dibromo-2-(difluoromethoxy)benzoate.

Molecular Properties

Compound Nameethyl 3,5-dibromo-2-(difluoromethoxy)benzoate
PubChem CID134632750
Molecular FormulaC10H8Br2F2O3
Molecular Weight373.98 g/mol
Exact Mass371.88
IUPAC Nameethyl 3,5-dibromo-2-(difluoromethoxy)benzoate
SMILESCCOC(=O)c1cc(Br)cc(Br)c1OC(F)F
InChIInChI=1S/C10H8Br2F2O3/c1-2-16-9(15)6-3-5(11)4-7(12)8(6)17-10(13)14/h3-4,10H,2H2,1H3
InChIKeyDVZONQGPBYDXOT-UHFFFAOYSA-N
XLogP3.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.98
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3,5-dibromo-2-(difluoromethoxy)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3,5-dibromo-2-(difluoromethoxy)phenyl]ethanone
CID 131291755
ethyl 2,3,5-tribromobenzoate
CID 112694304
diethyl 3,5-dibromobenzene-1,2-dicarboxylate
CID 139811983
ethyl 4-bromo-2-chloro-3-(difluoromethoxy)benzoate
CID 171006653
ethyl 5-amino-4-bromo-2-(difluoromethoxy)benzoate
CID 171019526
ethyl 3-(difluoromethoxy)-2,4-difluorobenzoate
CID 134644517
ethyl 2-bromo-4-(bromomethyl)-5-(difluoromethoxy)benzoate
CID 171004576
ethyl 3-bromo-5-chloro-2-ethoxybenzoate
CID 50880228
ethyl 2-(difluoromethoxy)-3-fluorobenzoate
CID 170997086
methyl 3-bromo-5-(chloromethyl)-2-(difluoromethoxy)benzoate
CID 171024106
ethyl 3,5-dibromo-2-(2-methylpropanoylamino)benzoate
CID 1268774
ethyl 2-[3-bromo-5-(bromomethyl)-4-(difluoromethoxy)phenyl]acetate
CID 171004231

Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-dibromo-2-(difluoromethoxy)benzoate?
The IUPAC name of ethyl 3,5-dibromo-2-(difluoromethoxy)benzoate (CID 134632750) is ethyl 3,5-dibromo-2-(difluoromethoxy)benzoate.
What is the SMILES notation for ethyl 3,5-dibromo-2-(difluoromethoxy)benzoate?
The canonical SMILES for ethyl 3,5-dibromo-2-(difluoromethoxy)benzoate is CCOC(=O)c1cc(Br)cc(Br)c1OC(F)F.
What is the InChIKey of ethyl 3,5-dibromo-2-(difluoromethoxy)benzoate?
The InChIKey is DVZONQGPBYDXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2F2O3/c1-2-16-9(15)6-3-5(11)4-7(12)8(6)17-10(13)14/h3-4,10H,2H2,1H3.
What are the key properties of ethyl 3,5-dibromo-2-(difluoromethoxy)benzoate?
ethyl 3,5-dibromo-2-(difluoromethoxy)benzoate has a molecular weight of 373.98 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5-dibromo-2-(difluoromethoxy)benzoate is sourced from PubChem (CID 134632750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).