methyl 5-bromo-4-fluoro-2-(methoxymethyl)benzoate

C10H10BrFO3 — CID 163395262

IUPACmethyl 5-bromo-4-fluoro-2-(methoxymethyl)benzoate
SMILESCOCc1cc(F)c(Br)cc1C(=O)OC
InChIInChI=1S/C10H10BrFO3/c1-14-5-6-3-9(12)8(11)4-7(6)10(13)15-2/h3-4H,5H2,1-2H3
InChIKeyOKTDFDSRHCPLGC-UHFFFAOYSA-N
MW277.09 g/mol
LogP2.52
Rot. Bonds3

About methyl 5-bromo-4-fluoro-2-(methoxymethyl)benzoate

methyl 5-bromo-4-fluoro-2-(methoxymethyl)benzoate (PubChem CID 163395262) has the molecular formula C10H10BrFO3 and a molecular weight of 277.09 g/mol. Its IUPAC name is methyl 5-bromo-4-fluoro-2-(methoxymethyl)benzoate.

Molecular Properties

Compound Namemethyl 5-bromo-4-fluoro-2-(methoxymethyl)benzoate
PubChem CID163395262
Molecular FormulaC10H10BrFO3
Molecular Weight277.09 g/mol
Exact Mass275.98
IUPAC Namemethyl 5-bromo-4-fluoro-2-(methoxymethyl)benzoate
SMILESCOCc1cc(F)c(Br)cc1C(=O)OC
InChIInChI=1S/C10H10BrFO3/c1-14-5-6-3-9(12)8(11)4-7(6)10(13)15-2/h3-4H,5H2,1-2H3
InChIKeyOKTDFDSRHCPLGC-UHFFFAOYSA-N
XLogP2.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-4-fluoro-2-(methoxymethyl)benzoate?
The IUPAC name of methyl 5-bromo-4-fluoro-2-(methoxymethyl)benzoate (CID 163395262) is methyl 5-bromo-4-fluoro-2-(methoxymethyl)benzoate.
What is the SMILES notation for methyl 5-bromo-4-fluoro-2-(methoxymethyl)benzoate?
The canonical SMILES for methyl 5-bromo-4-fluoro-2-(methoxymethyl)benzoate is COCc1cc(F)c(Br)cc1C(=O)OC.
What is the InChIKey of methyl 5-bromo-4-fluoro-2-(methoxymethyl)benzoate?
The InChIKey is OKTDFDSRHCPLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO3/c1-14-5-6-3-9(12)8(11)4-7(6)10(13)15-2/h3-4H,5H2,1-2H3.
What are the key properties of methyl 5-bromo-4-fluoro-2-(methoxymethyl)benzoate?
methyl 5-bromo-4-fluoro-2-(methoxymethyl)benzoate has a molecular weight of 277.09 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-4-fluoro-2-(methoxymethyl)benzoate is sourced from PubChem (CID 163395262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).