methyl 2-[2,3-dibromo-6-(difluoromethoxy)phenyl]acetate

C10H8Br2F2O3 — CID 134634019

IUPACmethyl 2-[2,3-dibromo-6-(difluoromethoxy)phenyl]acetate
SMILESCOC(=O)Cc1c(OC(F)F)ccc(Br)c1Br
InChIInChI=1S/C10H8Br2F2O3/c1-16-8(15)4-5-7(17-10(13)14)3-2-6(11)9(5)12/h2-3,10H,4H2,1H3
InChIKeyFVZKAOYSFFTFIQ-UHFFFAOYSA-N
MW373.98 g/mol
LogP3.53
Rot. Bonds4

About methyl 2-[2,3-dibromo-6-(difluoromethoxy)phenyl]acetate

methyl 2-[2,3-dibromo-6-(difluoromethoxy)phenyl]acetate (PubChem CID 134634019) has the molecular formula C10H8Br2F2O3 and a molecular weight of 373.98 g/mol. Its IUPAC name is methyl 2-[2,3-dibromo-6-(difluoromethoxy)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2,3-dibromo-6-(difluoromethoxy)phenyl]acetate
PubChem CID134634019
Molecular FormulaC10H8Br2F2O3
Molecular Weight373.98 g/mol
Exact Mass371.88
IUPAC Namemethyl 2-[2,3-dibromo-6-(difluoromethoxy)phenyl]acetate
SMILESCOC(=O)Cc1c(OC(F)F)ccc(Br)c1Br
InChIInChI=1S/C10H8Br2F2O3/c1-16-8(15)4-5-7(17-10(13)14)3-2-6(11)9(5)12/h2-3,10H,4H2,1H3
InChIKeyFVZKAOYSFFTFIQ-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-bromo-3-(difluoromethoxy)-6-fluorophenyl]acetate
CID 171010904
methyl 2-[3,6-dibromo-2-(difluoromethoxy)phenyl]acetate
CID 134634806
methyl 2,3-dibromo-6-(difluoromethoxy)benzoate
CID 134648331
methyl 2-[3-bromo-2-(difluoromethoxy)-6-nitrophenyl]acetate
CID 171014212
methyl 2-[4-bromo-3-(difluoromethoxy)-5-methylphenyl]acetate
CID 171014004
methyl 2-(3-bromo-2-fluoro-6-hydroxyphenyl)acetate
CID 131117804
methyl 2-[5-bromo-2-(bromomethyl)-3-(difluoromethoxy)phenyl]acetate
CID 171019426
methyl 2-[4-(bromomethyl)-2-(difluoromethoxy)-6-fluorophenyl]acetate
CID 171017876
[3-bromo-6-(difluoromethoxy)-2-fluorophenyl]methanol
CID 118141988
methyl 2-[5-(bromomethyl)-4-(difluoromethoxy)-2-methylphenyl]acetate
CID 171017182
1,2-dibromo-4-(difluoromethoxy)-3-methylbenzene
CID 118820826
1-bromo-3-(bromomethyl)-4-(difluoromethoxy)-2-fluorobenzene
CID 118141950

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2,3-dibromo-6-(difluoromethoxy)phenyl]acetate?
The IUPAC name of methyl 2-[2,3-dibromo-6-(difluoromethoxy)phenyl]acetate (CID 134634019) is methyl 2-[2,3-dibromo-6-(difluoromethoxy)phenyl]acetate.
What is the SMILES notation for methyl 2-[2,3-dibromo-6-(difluoromethoxy)phenyl]acetate?
The canonical SMILES for methyl 2-[2,3-dibromo-6-(difluoromethoxy)phenyl]acetate is COC(=O)Cc1c(OC(F)F)ccc(Br)c1Br.
What is the InChIKey of methyl 2-[2,3-dibromo-6-(difluoromethoxy)phenyl]acetate?
The InChIKey is FVZKAOYSFFTFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2F2O3/c1-16-8(15)4-5-7(17-10(13)14)3-2-6(11)9(5)12/h2-3,10H,4H2,1H3.
What are the key properties of methyl 2-[2,3-dibromo-6-(difluoromethoxy)phenyl]acetate?
methyl 2-[2,3-dibromo-6-(difluoromethoxy)phenyl]acetate has a molecular weight of 373.98 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2,3-dibromo-6-(difluoromethoxy)phenyl]acetate is sourced from PubChem (CID 134634019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).