methyl 1-(4-bromo-2,6-difluorophenoxy)cyclopropane-1-carboxylate

C11H9BrF2O3 — CID 90299118

IUPACmethyl 1-(4-bromo-2,6-difluorophenoxy)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(Oc2c(F)cc(Br)cc2F)CC1
InChIInChI=1S/C11H9BrF2O3/c1-16-10(15)11(2-3-11)17-9-7(13)4-6(12)5-8(9)14/h4-5H,2-3H2,1H3
InChIKeyIVQYFGDJWHIEHL-UHFFFAOYSA-N
MW307.09 g/mol
LogP2.81
Rot. Bonds3

About methyl 1-(4-bromo-2,6-difluorophenoxy)cyclopropane-1-carboxylate

methyl 1-(4-bromo-2,6-difluorophenoxy)cyclopropane-1-carboxylate (PubChem CID 90299118) has the molecular formula C11H9BrF2O3 and a molecular weight of 307.09 g/mol. Its IUPAC name is methyl 1-(4-bromo-2,6-difluorophenoxy)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-bromo-2,6-difluorophenoxy)cyclopropane-1-carboxylate
PubChem CID90299118
Molecular FormulaC11H9BrF2O3
Molecular Weight307.09 g/mol
Exact Mass305.97
IUPAC Namemethyl 1-(4-bromo-2,6-difluorophenoxy)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(Oc2c(F)cc(Br)cc2F)CC1
InChIInChI=1S/C11H9BrF2O3/c1-16-10(15)11(2-3-11)17-9-7(13)4-6(12)5-8(9)14/h4-5H,2-3H2,1H3
InChIKeyIVQYFGDJWHIEHL-UHFFFAOYSA-N
XLogP2.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.09
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-bromo-2,6-difluorophenoxy)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(4-bromo-2,6-difluorophenoxy)cyclopropane-1-carboxylate (CID 90299118) is methyl 1-(4-bromo-2,6-difluorophenoxy)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(4-bromo-2,6-difluorophenoxy)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(4-bromo-2,6-difluorophenoxy)cyclopropane-1-carboxylate is COC(=O)C1(Oc2c(F)cc(Br)cc2F)CC1.
What is the InChIKey of methyl 1-(4-bromo-2,6-difluorophenoxy)cyclopropane-1-carboxylate?
The InChIKey is IVQYFGDJWHIEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF2O3/c1-16-10(15)11(2-3-11)17-9-7(13)4-6(12)5-8(9)14/h4-5H,2-3H2,1H3.
What are the key properties of methyl 1-(4-bromo-2,6-difluorophenoxy)cyclopropane-1-carboxylate?
methyl 1-(4-bromo-2,6-difluorophenoxy)cyclopropane-1-carboxylate has a molecular weight of 307.09 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-bromo-2,6-difluorophenoxy)cyclopropane-1-carboxylate is sourced from PubChem (CID 90299118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).