methyl 1-(4-bromo-3-fluorophenyl)cyclopropane-1-carboxylate

C11H10BrFO2 — CID 90298966

IUPACmethyl 1-(4-bromo-3-fluorophenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C11H10BrFO2/c1-15-10(14)11(4-5-11)7-2-3-8(12)9(13)6-7/h2-3,6H,4-5H2,1H3
InChIKeyJXKLZKBJHDSCHN-UHFFFAOYSA-N
MW273.10 g/mol
LogP2.79
Rot. Bonds2

About methyl 1-(4-bromo-3-fluorophenyl)cyclopropane-1-carboxylate

methyl 1-(4-bromo-3-fluorophenyl)cyclopropane-1-carboxylate (PubChem CID 90298966) has the molecular formula C11H10BrFO2 and a molecular weight of 273.10 g/mol. Its IUPAC name is methyl 1-(4-bromo-3-fluorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-bromo-3-fluorophenyl)cyclopropane-1-carboxylate
PubChem CID90298966
Molecular FormulaC11H10BrFO2
Molecular Weight273.10 g/mol
Exact Mass271.98
IUPAC Namemethyl 1-(4-bromo-3-fluorophenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C11H10BrFO2/c1-15-10(14)11(4-5-11)7-2-3-8(12)9(13)6-7/h2-3,6H,4-5H2,1H3
InChIKeyJXKLZKBJHDSCHN-UHFFFAOYSA-N
XLogP2.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-bromo-3-fluorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(4-bromo-3-fluorophenyl)cyclopropane-1-carboxylate (CID 90298966) is methyl 1-(4-bromo-3-fluorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(4-bromo-3-fluorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(4-bromo-3-fluorophenyl)cyclopropane-1-carboxylate is COC(=O)C1(c2ccc(Br)c(F)c2)CC1.
What is the InChIKey of methyl 1-(4-bromo-3-fluorophenyl)cyclopropane-1-carboxylate?
The InChIKey is JXKLZKBJHDSCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFO2/c1-15-10(14)11(4-5-11)7-2-3-8(12)9(13)6-7/h2-3,6H,4-5H2,1H3.
What are the key properties of methyl 1-(4-bromo-3-fluorophenyl)cyclopropane-1-carboxylate?
methyl 1-(4-bromo-3-fluorophenyl)cyclopropane-1-carboxylate has a molecular weight of 273.10 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-bromo-3-fluorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 90298966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).