methyl 2-[2-bromo-3-(difluoromethoxy)-6-fluorophenyl]acetate

C10H8BrF3O3 — CID 171010904

IUPACmethyl 2-[2-bromo-3-(difluoromethoxy)-6-fluorophenyl]acetate
SMILESCOC(=O)Cc1c(F)ccc(OC(F)F)c1Br
InChIInChI=1S/C10H8BrF3O3/c1-16-8(15)4-5-6(12)2-3-7(9(5)11)17-10(13)14/h2-3,10H,4H2,1H3
InChIKeyCYCNXDNQDKSDKI-UHFFFAOYSA-N
MW313.07 g/mol
LogP2.91
Rot. Bonds4

About methyl 2-[2-bromo-3-(difluoromethoxy)-6-fluorophenyl]acetate

methyl 2-[2-bromo-3-(difluoromethoxy)-6-fluorophenyl]acetate (PubChem CID 171010904) has the molecular formula C10H8BrF3O3 and a molecular weight of 313.07 g/mol. Its IUPAC name is methyl 2-[2-bromo-3-(difluoromethoxy)-6-fluorophenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-bromo-3-(difluoromethoxy)-6-fluorophenyl]acetate
PubChem CID171010904
Molecular FormulaC10H8BrF3O3
Molecular Weight313.07 g/mol
Exact Mass311.96
IUPAC Namemethyl 2-[2-bromo-3-(difluoromethoxy)-6-fluorophenyl]acetate
SMILESCOC(=O)Cc1c(F)ccc(OC(F)F)c1Br
InChIInChI=1S/C10H8BrF3O3/c1-16-8(15)4-5-6(12)2-3-7(9(5)11)17-10(13)14/h2-3,10H,4H2,1H3
InChIKeyCYCNXDNQDKSDKI-UHFFFAOYSA-N
XLogP2.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.07
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[2-bromo-3-(difluoromethoxy)-6-fluorophenyl]acetate 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

methyl 2-[2,3-dibromo-6-(difluoromethoxy)phenyl]acetate
CID 134634019
methyl 2-[4-(bromomethyl)-2-(difluoromethoxy)-6-fluorophenyl]acetate
CID 171017876
methyl 2-[3,6-dibromo-2-(difluoromethoxy)phenyl]acetate
CID 134634806
methyl 2-(3-bromo-6-fluoro-2-methylphenyl)acetate
CID 131455080
methyl 2,3-dibromo-6-(difluoromethoxy)benzoate
CID 134648331
methyl 2-[5-(bromomethyl)-4-(difluoromethoxy)-2-fluorophenyl]acetate
CID 171017398
methyl 2-[4-bromo-3-(difluoromethoxy)-5-methylphenyl]acetate
CID 171014004
methyl 2-[2-(chloromethyl)-3,6-difluorophenyl]acetate
CID 171019323
methyl 2-(3-bromo-2,4-difluorophenyl)acetate
CID 131171218
2-[2-bromo-6-chloro-3-(difluoromethoxy)phenyl]acetic acid
CID 171000608
methyl 2-[5-bromo-2-(bromomethyl)-3-(difluoromethoxy)phenyl]acetate
CID 171019426
methyl 2-(2-bromo-6-cyano-3-fluorophenyl)acetate
CID 131256039

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-bromo-3-(difluoromethoxy)-6-fluorophenyl]acetate?
The IUPAC name of methyl 2-[2-bromo-3-(difluoromethoxy)-6-fluorophenyl]acetate (CID 171010904) is methyl 2-[2-bromo-3-(difluoromethoxy)-6-fluorophenyl]acetate.
What is the SMILES notation for methyl 2-[2-bromo-3-(difluoromethoxy)-6-fluorophenyl]acetate?
The canonical SMILES for methyl 2-[2-bromo-3-(difluoromethoxy)-6-fluorophenyl]acetate is COC(=O)Cc1c(F)ccc(OC(F)F)c1Br.
What is the InChIKey of methyl 2-[2-bromo-3-(difluoromethoxy)-6-fluorophenyl]acetate?
The InChIKey is CYCNXDNQDKSDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3O3/c1-16-8(15)4-5-6(12)2-3-7(9(5)11)17-10(13)14/h2-3,10H,4H2,1H3.
What are the key properties of methyl 2-[2-bromo-3-(difluoromethoxy)-6-fluorophenyl]acetate?
methyl 2-[2-bromo-3-(difluoromethoxy)-6-fluorophenyl]acetate has a molecular weight of 313.07 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-bromo-3-(difluoromethoxy)-6-fluorophenyl]acetate is sourced from PubChem (CID 171010904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).