(2S)-2-[(2-bromo-5-fluorophenyl)methoxy]propanoic acid

C10H10BrFO3 — CID 104875993

IUPAC(2S)-2-[(2-bromo-5-fluorophenyl)methoxy]propanoic acid
SMILESC[C@H](OCc1cc(F)ccc1Br)C(=O)O
InChIInChI=1S/C10H10BrFO3/c1-6(10(13)14)15-5-7-4-8(12)2-3-9(7)11/h2-4,6H,5H2,1H3,(H,13,14)/t6-/m0/s1
InChIKeyQLAAWOHNCWXXJH-LURJTMIESA-N
MW277.09 g/mol
LogP2.58
Rot. Bonds4

About (2S)-2-[(2-bromo-5-fluorophenyl)methoxy]propanoic acid

(2S)-2-[(2-bromo-5-fluorophenyl)methoxy]propanoic acid (PubChem CID 104875993) has the molecular formula C10H10BrFO3 and a molecular weight of 277.09 g/mol. Its IUPAC name is (2S)-2-[(2-bromo-5-fluorophenyl)methoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-bromo-5-fluorophenyl)methoxy]propanoic acid
PubChem CID104875993
Molecular FormulaC10H10BrFO3
Molecular Weight277.09 g/mol
Exact Mass275.98
IUPAC Name(2S)-2-[(2-bromo-5-fluorophenyl)methoxy]propanoic acid
SMILESC[C@H](OCc1cc(F)ccc1Br)C(=O)O
InChIInChI=1S/C10H10BrFO3/c1-6(10(13)14)15-5-7-4-8(12)2-3-9(7)11/h2-4,6H,5H2,1H3,(H,13,14)/t6-/m0/s1
InChIKeyQLAAWOHNCWXXJH-LURJTMIESA-N
XLogP2.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-5-fluorophenyl)methyl carbamate
CID 150503608
2-[(2-bromophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one
CID 82809590
3-(2-bromo-5-fluorophenyl)-2-fluoropropanoic acid
CID 130820076
2-[(2-bromo-5-fluorophenyl)methylamino]butanoic acid
CID 64667971
2-[(2-bromo-5-fluorophenyl)methoxy]benzoic acid
CID 24699873
1-(2-bromo-5-fluorophenyl)-3-ethoxy-4-methylpentan-2-one
CID 116708626
4-[(2-bromo-5-fluorophenyl)methoxy]-2-methylbenzoic acid
CID 107671314
(2-bromo-5-fluorophenyl)methyl 2,2,2-trifluoroacetate
CID 91735693
N-[(2-bromo-5-fluorophenyl)methyl]-2-chloropropanamide
CID 61017025
(2R)-2-[3-(2-bromo-5-fluorophenyl)propanoylamino]propanoic acid
CID 120526889
(2R)-1-[(2-bromo-5-fluorophenyl)methylamino]propan-2-ol
CID 93083077
5-(2-bromo-5-fluorophenyl)-4-methylpentan-2-one
CID 64720945

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-bromo-5-fluorophenyl)methoxy]propanoic acid?
The IUPAC name of (2S)-2-[(2-bromo-5-fluorophenyl)methoxy]propanoic acid (CID 104875993) is (2S)-2-[(2-bromo-5-fluorophenyl)methoxy]propanoic acid.
What is the SMILES notation for (2S)-2-[(2-bromo-5-fluorophenyl)methoxy]propanoic acid?
The canonical SMILES for (2S)-2-[(2-bromo-5-fluorophenyl)methoxy]propanoic acid is C[C@H](OCc1cc(F)ccc1Br)C(=O)O.
What is the InChIKey of (2S)-2-[(2-bromo-5-fluorophenyl)methoxy]propanoic acid?
The InChIKey is QLAAWOHNCWXXJH-LURJTMIESA-N. The full InChI is InChI=1S/C10H10BrFO3/c1-6(10(13)14)15-5-7-4-8(12)2-3-9(7)11/h2-4,6H,5H2,1H3,(H,13,14)/t6-/m0/s1.
What are the key properties of (2S)-2-[(2-bromo-5-fluorophenyl)methoxy]propanoic acid?
(2S)-2-[(2-bromo-5-fluorophenyl)methoxy]propanoic acid has a molecular weight of 277.09 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-bromo-5-fluorophenyl)methoxy]propanoic acid is sourced from PubChem (CID 104875993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).