propyl 2-(2-bromo-4-fluorophenoxy)acetate

C11H12BrFO3 — CID 78907900

IUPACpropyl 2-(2-bromo-4-fluorophenoxy)acetate
SMILESCCCOC(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C11H12BrFO3/c1-2-5-15-11(14)7-16-10-4-3-8(13)6-9(10)12/h3-4,6H,2,5,7H2,1H3
InChIKeyQDJDEEVCSBAILA-UHFFFAOYSA-N
MW291.12 g/mol
LogP2.92
Rot. Bonds5

About propyl 2-(2-bromo-4-fluorophenoxy)acetate

propyl 2-(2-bromo-4-fluorophenoxy)acetate (PubChem CID 78907900) has the molecular formula C11H12BrFO3 and a molecular weight of 291.12 g/mol. Its IUPAC name is propyl 2-(2-bromo-4-fluorophenoxy)acetate.

Molecular Properties

Compound Namepropyl 2-(2-bromo-4-fluorophenoxy)acetate
PubChem CID78907900
Molecular FormulaC11H12BrFO3
Molecular Weight291.12 g/mol
Exact Mass290.00
IUPAC Namepropyl 2-(2-bromo-4-fluorophenoxy)acetate
SMILESCCCOC(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C11H12BrFO3/c1-2-5-15-11(14)7-16-10-4-3-8(13)6-9(10)12/h3-4,6H,2,5,7H2,1H3
InChIKeyQDJDEEVCSBAILA-UHFFFAOYSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525758
2-(4-cyanophenoxy)ethyl 2-(2-bromo-4-fluorophenoxy)acetate
CID 30062305
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525761
butyl 2-(2-bromo-4-methylphenoxy)acetate
CID 54940989
butyl 2-(2-bromo-4-methoxyphenoxy)acetate
CID 113443363
2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide
CID 51279328
ethyl 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]propanoate
CID 61344943
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525806
[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525714
ethyl 2-(N-[2-[2-(2-bromo-4-fluorophenoxy)acetyl]oxyacetyl]anilino)acetate
CID 30033896
(2-bromo-4-fluorophenyl) butanoate
CID 537734
4-(2-bromo-4-fluorophenoxy)butan-2-one
CID 60666649

Frequently Asked Questions

What is the IUPAC name of propyl 2-(2-bromo-4-fluorophenoxy)acetate?
The IUPAC name of propyl 2-(2-bromo-4-fluorophenoxy)acetate (CID 78907900) is propyl 2-(2-bromo-4-fluorophenoxy)acetate.
What is the SMILES notation for propyl 2-(2-bromo-4-fluorophenoxy)acetate?
The canonical SMILES for propyl 2-(2-bromo-4-fluorophenoxy)acetate is CCCOC(=O)COc1ccc(F)cc1Br.
What is the InChIKey of propyl 2-(2-bromo-4-fluorophenoxy)acetate?
The InChIKey is QDJDEEVCSBAILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO3/c1-2-5-15-11(14)7-16-10-4-3-8(13)6-9(10)12/h3-4,6H,2,5,7H2,1H3.
What are the key properties of propyl 2-(2-bromo-4-fluorophenoxy)acetate?
propyl 2-(2-bromo-4-fluorophenoxy)acetate has a molecular weight of 291.12 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(2-bromo-4-fluorophenoxy)acetate is sourced from PubChem (CID 78907900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).