methyl (2S)-2-(2-bromo-5-fluorophenoxy)propanoate

C10H10BrFO3 — CID 103338122

IUPACmethyl (2S)-2-(2-bromo-5-fluorophenoxy)propanoate
SMILESCOC(=O)[C@H](C)Oc1cc(F)ccc1Br
InChIInChI=1S/C10H10BrFO3/c1-6(10(13)14-2)15-9-5-7(12)3-4-8(9)11/h3-6H,1-2H3/t6-/m0/s1
InChIKeyRJCWYKKZQVYFIK-LURJTMIESA-N
MW277.09 g/mol
LogP2.53
Rot. Bonds3

About methyl (2S)-2-(2-bromo-5-fluorophenoxy)propanoate

methyl (2S)-2-(2-bromo-5-fluorophenoxy)propanoate (PubChem CID 103338122) has the molecular formula C10H10BrFO3 and a molecular weight of 277.09 g/mol. Its IUPAC name is methyl (2S)-2-(2-bromo-5-fluorophenoxy)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(2-bromo-5-fluorophenoxy)propanoate
PubChem CID103338122
Molecular FormulaC10H10BrFO3
Molecular Weight277.09 g/mol
Exact Mass275.98
IUPAC Namemethyl (2S)-2-(2-bromo-5-fluorophenoxy)propanoate
SMILESCOC(=O)[C@H](C)Oc1cc(F)ccc1Br
InChIInChI=1S/C10H10BrFO3/c1-6(10(13)14-2)15-9-5-7(12)3-4-8(9)11/h3-6H,1-2H3/t6-/m0/s1
InChIKeyRJCWYKKZQVYFIK-LURJTMIESA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-(5-fluoro-2-methylphenoxy)propanoate
CID 103338283
2-(2-bromo-5-fluorophenoxy)-N-propan-2-ylpropanamide
CID 81496333
methyl 2-(2,4-difluorophenoxy)propanoate
CID 4507460
methyl (2R)-2-(2,4-difluorophenoxy)propanoate
CID 40645997
2-(2-bromo-5-fluorophenoxy)-N,N-diethylpropanamide
CID 81494846
2-(2-bromo-5-fluorophenoxy)-N-pentylpropanamide
CID 81495069
methyl 2-(2-bromo-4-chlorophenoxy)propanoate
CID 20526233
methyl 2-(2-bromo-5-fluorophenyl)-2-hydroxyacetate
CID 103946884
methyl 2-(2-bromo-5-fluorobenzoyl)-3-methylbutanoate
CID 107923904
methyl 2-[2-(2-aminobutyl)-4-fluorophenoxy]propanoate
CID 107701262
1-bromo-2-(difluoromethoxy)-4-fluorobenzene
CID 45158711
(2R)-2-(2-bromo-4-fluorophenoxy)-1-phenylpropan-1-one
CID 94185693

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(2-bromo-5-fluorophenoxy)propanoate?
The IUPAC name of methyl (2S)-2-(2-bromo-5-fluorophenoxy)propanoate (CID 103338122) is methyl (2S)-2-(2-bromo-5-fluorophenoxy)propanoate.
What is the SMILES notation for methyl (2S)-2-(2-bromo-5-fluorophenoxy)propanoate?
The canonical SMILES for methyl (2S)-2-(2-bromo-5-fluorophenoxy)propanoate is COC(=O)[C@H](C)Oc1cc(F)ccc1Br.
What is the InChIKey of methyl (2S)-2-(2-bromo-5-fluorophenoxy)propanoate?
The InChIKey is RJCWYKKZQVYFIK-LURJTMIESA-N. The full InChI is InChI=1S/C10H10BrFO3/c1-6(10(13)14-2)15-9-5-7(12)3-4-8(9)11/h3-6H,1-2H3/t6-/m0/s1.
What are the key properties of methyl (2S)-2-(2-bromo-5-fluorophenoxy)propanoate?
methyl (2S)-2-(2-bromo-5-fluorophenoxy)propanoate has a molecular weight of 277.09 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(2-bromo-5-fluorophenoxy)propanoate is sourced from PubChem (CID 103338122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).