(2R)-2-(2-fluorophenyl)-4-methoxy-4-oxobutanoic acid

C11H11FO4 — CID 157200249

IUPAC(2R)-2-(2-fluorophenyl)-4-methoxy-4-oxobutanoic acid
SMILESCOC(=O)C[C@@H](C(=O)O)c1ccccc1F
InChIInChI=1S/C11H11FO4/c1-16-10(13)6-8(11(14)15)7-4-2-3-5-9(7)12/h2-5,8H,6H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyPUFSKFJGDBHZNH-MRVPVSSYSA-N
MW226.20 g/mol
LogP1.56
Rot. Bonds4

About (2R)-2-(2-fluorophenyl)-4-methoxy-4-oxobutanoic acid

(2R)-2-(2-fluorophenyl)-4-methoxy-4-oxobutanoic acid (PubChem CID 157200249) has the molecular formula C11H11FO4 and a molecular weight of 226.20 g/mol. Its IUPAC name is (2R)-2-(2-fluorophenyl)-4-methoxy-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-fluorophenyl)-4-methoxy-4-oxobutanoic acid
PubChem CID157200249
Molecular FormulaC11H11FO4
Molecular Weight226.20 g/mol
Exact Mass226.06
IUPAC Name(2R)-2-(2-fluorophenyl)-4-methoxy-4-oxobutanoic acid
SMILESCOC(=O)C[C@@H](C(=O)O)c1ccccc1F
InChIInChI=1S/C11H11FO4/c1-16-10(13)6-8(11(14)15)7-4-2-3-5-9(7)12/h2-5,8H,6H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyPUFSKFJGDBHZNH-MRVPVSSYSA-N
XLogP1.56
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)butanedioic acid
CID 50990542
methyl 3-(2-fluorophenyl)-3-(methylamino)propanoate
CID 65235054
methyl (3R)-4-fluoro-3-(2-fluorophenyl)butanoate
CID 162412493
2-(2-fluorophenyl)-3-methylsulfanylpropanoic acid
CID 117244463
methyl 2-(2-fluorophenyl)-3-hydroxypropanoate
CID 117244488
2-(2-fluorophenyl)-5-methylhexanoic acid
CID 79439797
2-(2-fluorophenyl)-4-methylsulfonylbutanoic acid
CID 79438904
4-amino-2-(2-fluorophenyl)butanoic acid
CID 82158228
2-(2-fluorophenyl)heptanoic acid
CID 79439623
(2R)-2-amino-2-(2-methylphenyl)acetic acid;(2R)-4-methoxy-2-(2-methylphenyl)-4-oxobutanoic acid;methyl carbonochloridate
CID 159746708
(2S)-2-amino-4-(2-fluorophenyl)pentanedioic acid
CID 172697972
methyl 3-amino-3-(2,3-difluorophenyl)propanoate
CID 63668898

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluorophenyl)-4-methoxy-4-oxobutanoic acid?
The IUPAC name of (2R)-2-(2-fluorophenyl)-4-methoxy-4-oxobutanoic acid (CID 157200249) is (2R)-2-(2-fluorophenyl)-4-methoxy-4-oxobutanoic acid.
What is the SMILES notation for (2R)-2-(2-fluorophenyl)-4-methoxy-4-oxobutanoic acid?
The canonical SMILES for (2R)-2-(2-fluorophenyl)-4-methoxy-4-oxobutanoic acid is COC(=O)C[C@@H](C(=O)O)c1ccccc1F.
What is the InChIKey of (2R)-2-(2-fluorophenyl)-4-methoxy-4-oxobutanoic acid?
The InChIKey is PUFSKFJGDBHZNH-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11FO4/c1-16-10(13)6-8(11(14)15)7-4-2-3-5-9(7)12/h2-5,8H,6H2,1H3,(H,14,15)/t8-/m1/s1.
What are the key properties of (2R)-2-(2-fluorophenyl)-4-methoxy-4-oxobutanoic acid?
(2R)-2-(2-fluorophenyl)-4-methoxy-4-oxobutanoic acid has a molecular weight of 226.20 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluorophenyl)-4-methoxy-4-oxobutanoic acid is sourced from PubChem (CID 157200249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).