2-(2,3-difluorophenoxy)-3-methoxy-2-methylpropanoic acid

C11H12F2O4 — CID 114993101

IUPAC2-(2,3-difluorophenoxy)-3-methoxy-2-methylpropanoic acid
SMILESCOCC(C)(Oc1cccc(F)c1F)C(=O)O
InChIInChI=1S/C11H12F2O4/c1-11(6-16-2,10(14)15)17-8-5-3-4-7(12)9(8)13/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyJPXKWFUUPWSAEL-UHFFFAOYSA-N
MW246.21 g/mol
LogP1.83
Rot. Bonds5

About 2-(2,3-difluorophenoxy)-3-methoxy-2-methylpropanoic acid

2-(2,3-difluorophenoxy)-3-methoxy-2-methylpropanoic acid (PubChem CID 114993101) has the molecular formula C11H12F2O4 and a molecular weight of 246.21 g/mol. Its IUPAC name is 2-(2,3-difluorophenoxy)-3-methoxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2,3-difluorophenoxy)-3-methoxy-2-methylpropanoic acid
PubChem CID114993101
Molecular FormulaC11H12F2O4
Molecular Weight246.21 g/mol
Exact Mass246.07
IUPAC Name2-(2,3-difluorophenoxy)-3-methoxy-2-methylpropanoic acid
SMILESCOCC(C)(Oc1cccc(F)c1F)C(=O)O
InChIInChI=1S/C11H12F2O4/c1-11(6-16-2,10(14)15)17-8-5-3-4-7(12)9(8)13/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyJPXKWFUUPWSAEL-UHFFFAOYSA-N
XLogP1.83
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenoxy)-2,4-dimethylpentanoic acid
CID 114994799
(2,3-difluorophenyl) carbamate
CID 154511519
methyl 2-(2,3-difluorophenoxy)acetate
CID 63037600
1-(2,3-difluorophenoxy)-2-methylbutan-2-ol
CID 114496070
4-(2,3-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64718485
2-fluoro-6-(2-hydroxy-2-methylpropoxy)benzoic acid
CID 107014003
3-(2-fluoro-6-methoxyphenyl)-3-methylbutanoic acid
CID 117325215
(3R)-3-(2,3-difluorophenoxy)butanoic acid
CID 94985896
(2S)-2-(2,6-difluorophenyl)-2-(ethylamino)propanoic acid
CID 93280142
2-(3-chloro-2-fluorophenoxy)-2,2-difluoroacetic acid
CID 116688443
methyl 2-amino-4-(2,3-difluorophenoxy)-2-methylpentanoate
CID 64721367
2-amino-3-(2-fluoro-3-methylphenoxy)-2-methylpropanoic acid
CID 107660407

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenoxy)-3-methoxy-2-methylpropanoic acid?
The IUPAC name of 2-(2,3-difluorophenoxy)-3-methoxy-2-methylpropanoic acid (CID 114993101) is 2-(2,3-difluorophenoxy)-3-methoxy-2-methylpropanoic acid.
What is the SMILES notation for 2-(2,3-difluorophenoxy)-3-methoxy-2-methylpropanoic acid?
The canonical SMILES for 2-(2,3-difluorophenoxy)-3-methoxy-2-methylpropanoic acid is COCC(C)(Oc1cccc(F)c1F)C(=O)O.
What is the InChIKey of 2-(2,3-difluorophenoxy)-3-methoxy-2-methylpropanoic acid?
The InChIKey is JPXKWFUUPWSAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O4/c1-11(6-16-2,10(14)15)17-8-5-3-4-7(12)9(8)13/h3-5H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-(2,3-difluorophenoxy)-3-methoxy-2-methylpropanoic acid?
2-(2,3-difluorophenoxy)-3-methoxy-2-methylpropanoic acid has a molecular weight of 246.21 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenoxy)-3-methoxy-2-methylpropanoic acid is sourced from PubChem (CID 114993101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).