ethyl 2-(5-bromo-2-methylphenoxy)-2-fluoroacetate

C11H12BrFO3 — CID 107283157

IUPACethyl 2-(5-bromo-2-methylphenoxy)-2-fluoroacetate
SMILESCCOC(=O)C(F)Oc1cc(Br)ccc1C
InChIInChI=1S/C11H12BrFO3/c1-3-15-11(14)10(13)16-9-6-8(12)5-4-7(9)2/h4-6,10H,3H2,1-2H3
InChIKeyZYDRUHBBVFESII-UHFFFAOYSA-N
MW291.12 g/mol
LogP3.00
Rot. Bonds4

About ethyl 2-(5-bromo-2-methylphenoxy)-2-fluoroacetate

ethyl 2-(5-bromo-2-methylphenoxy)-2-fluoroacetate (PubChem CID 107283157) has the molecular formula C11H12BrFO3 and a molecular weight of 291.12 g/mol. Its IUPAC name is ethyl 2-(5-bromo-2-methylphenoxy)-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(5-bromo-2-methylphenoxy)-2-fluoroacetate
PubChem CID107283157
Molecular FormulaC11H12BrFO3
Molecular Weight291.12 g/mol
Exact Mass290.00
IUPAC Nameethyl 2-(5-bromo-2-methylphenoxy)-2-fluoroacetate
SMILESCCOC(=O)C(F)Oc1cc(Br)ccc1C
InChIInChI=1S/C11H12BrFO3/c1-3-15-11(14)10(13)16-9-6-8(12)5-4-7(9)2/h4-6,10H,3H2,1-2H3
InChIKeyZYDRUHBBVFESII-UHFFFAOYSA-N
XLogP3.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-bromo-4-methylphenoxy)-2-fluoroacetate
CID 79357029
4-bromo-2-(difluoromethoxy)-1-methylbenzene
CID 45158712
2-(5-bromo-2-methylphenoxy)pentan-1-amine
CID 107286173
ethyl 2-(5-bromo-2-fluorophenoxy)butanoate
CID 114671561
4-bromo-2-butan-2-yloxy-1-methylbenzene
CID 103693573
2-(5-bromo-2-methylphenoxy)-3-methylbutanoic acid
CID 107283135
ethyl 3-(difluoromethoxy)-4-methylbenzoate
CID 153338656
ethyl 2-fluoro-2-(2-formylphenoxy)acetate
CID 146450641
ethyl 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-fluoroacetate
CID 79357323
ethyl (2S)-2-(4-bromophenyl)-2-fluoroacetate
CID 125041350
2-(5-bromo-2-methylphenoxy)propanethioamide
CID 107283881
ethyl (3R)-3-amino-3-(5-bromo-2-methoxyphenyl)-2-fluoropropanoate
CID 171240179

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-bromo-2-methylphenoxy)-2-fluoroacetate?
The IUPAC name of ethyl 2-(5-bromo-2-methylphenoxy)-2-fluoroacetate (CID 107283157) is ethyl 2-(5-bromo-2-methylphenoxy)-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(5-bromo-2-methylphenoxy)-2-fluoroacetate?
The canonical SMILES for ethyl 2-(5-bromo-2-methylphenoxy)-2-fluoroacetate is CCOC(=O)C(F)Oc1cc(Br)ccc1C.
What is the InChIKey of ethyl 2-(5-bromo-2-methylphenoxy)-2-fluoroacetate?
The InChIKey is ZYDRUHBBVFESII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO3/c1-3-15-11(14)10(13)16-9-6-8(12)5-4-7(9)2/h4-6,10H,3H2,1-2H3.
What are the key properties of ethyl 2-(5-bromo-2-methylphenoxy)-2-fluoroacetate?
ethyl 2-(5-bromo-2-methylphenoxy)-2-fluoroacetate has a molecular weight of 291.12 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-bromo-2-methylphenoxy)-2-fluoroacetate is sourced from PubChem (CID 107283157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).