methyl 2-(bromomethyl)-4-fluoro-6-methoxybenzoate

C10H10BrFO3 — CID 171017402

IUPACmethyl 2-(bromomethyl)-4-fluoro-6-methoxybenzoate
SMILESCOC(=O)c1c(CBr)cc(F)cc1OC
InChIInChI=1S/C10H10BrFO3/c1-14-8-4-7(12)3-6(5-11)9(8)10(13)15-2/h3-4H,5H2,1-2H3
InChIKeyAFMUEUAYIWKUIR-UHFFFAOYSA-N
MW277.09 g/mol
LogP2.52
Rot. Bonds3

About methyl 2-(bromomethyl)-4-fluoro-6-methoxybenzoate

methyl 2-(bromomethyl)-4-fluoro-6-methoxybenzoate (PubChem CID 171017402) has the molecular formula C10H10BrFO3 and a molecular weight of 277.09 g/mol. Its IUPAC name is methyl 2-(bromomethyl)-4-fluoro-6-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-(bromomethyl)-4-fluoro-6-methoxybenzoate
PubChem CID171017402
Molecular FormulaC10H10BrFO3
Molecular Weight277.09 g/mol
Exact Mass275.98
IUPAC Namemethyl 2-(bromomethyl)-4-fluoro-6-methoxybenzoate
SMILESCOC(=O)c1c(CBr)cc(F)cc1OC
InChIInChI=1S/C10H10BrFO3/c1-14-8-4-7(12)3-6(5-11)9(8)10(13)15-2/h3-4H,5H2,1-2H3
InChIKeyAFMUEUAYIWKUIR-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(bromomethyl)-4-fluoro-6-methoxyphenyl]acetic acid
CID 171024915
1-(bromomethyl)-2,5-difluoro-3-methoxybenzene
CID 130936683
methyl 2-[2-(bromomethyl)-5-fluoro-3-methoxyphenyl]acetate
CID 171017298
1-(4-fluoro-2,6-dimethoxyphenyl)ethanone
CID 117287701
2-bromo-1-(2-chloro-4-fluoro-6-methoxyphenyl)ethanone
CID 86690853
ethyl 2-(chloromethyl)-4-fluoro-6-methoxybenzoate
CID 171019605
methyl 2,5-difluoro-3-methoxybenzoate
CID 130786948
1-[2-(bromomethyl)-4-fluoro-6-iodophenyl]ethanone
CID 131992624
ethyl 2-[2-(bromomethyl)-5-fluoro-3-methoxyphenyl]acetate
CID 171017711
ethyl 3-(bromomethyl)-5-fluoro-2-methoxybenzoate
CID 171017441
methyl 2-[3-(bromomethyl)-5-fluorophenyl]acetate
CID 99769923
methyl 2-[2-(bromomethyl)-5-fluoro-4-methoxyphenyl]acetate
CID 171017348

Frequently Asked Questions

What is the IUPAC name of methyl 2-(bromomethyl)-4-fluoro-6-methoxybenzoate?
The IUPAC name of methyl 2-(bromomethyl)-4-fluoro-6-methoxybenzoate (CID 171017402) is methyl 2-(bromomethyl)-4-fluoro-6-methoxybenzoate.
What is the SMILES notation for methyl 2-(bromomethyl)-4-fluoro-6-methoxybenzoate?
The canonical SMILES for methyl 2-(bromomethyl)-4-fluoro-6-methoxybenzoate is COC(=O)c1c(CBr)cc(F)cc1OC.
What is the InChIKey of methyl 2-(bromomethyl)-4-fluoro-6-methoxybenzoate?
The InChIKey is AFMUEUAYIWKUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO3/c1-14-8-4-7(12)3-6(5-11)9(8)10(13)15-2/h3-4H,5H2,1-2H3.
What are the key properties of methyl 2-(bromomethyl)-4-fluoro-6-methoxybenzoate?
methyl 2-(bromomethyl)-4-fluoro-6-methoxybenzoate 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 2-(bromomethyl)-4-fluoro-6-methoxybenzoate is sourced from PubChem (CID 171017402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).