3-(2,5-difluorophenoxy)-2-ethoxypropanoic acid

C11H12F2O4 — CID 63272996

IUPAC3-(2,5-difluorophenoxy)-2-ethoxypropanoic acid
SMILESCCOC(COc1cc(F)ccc1F)C(=O)O
InChIInChI=1S/C11H12F2O4/c1-2-16-10(11(14)15)6-17-9-5-7(12)3-4-8(9)13/h3-5,10H,2,6H2,1H3,(H,14,15)
InChIKeyUYHXVKPJESJQKP-UHFFFAOYSA-N
MW246.21 g/mol
LogP1.83
Rot. Bonds6

About 3-(2,5-difluorophenoxy)-2-ethoxypropanoic acid

3-(2,5-difluorophenoxy)-2-ethoxypropanoic acid (PubChem CID 63272996) has the molecular formula C11H12F2O4 and a molecular weight of 246.21 g/mol. Its IUPAC name is 3-(2,5-difluorophenoxy)-2-ethoxypropanoic acid.

Molecular Properties

Compound Name3-(2,5-difluorophenoxy)-2-ethoxypropanoic acid
PubChem CID63272996
Molecular FormulaC11H12F2O4
Molecular Weight246.21 g/mol
Exact Mass246.07
IUPAC Name3-(2,5-difluorophenoxy)-2-ethoxypropanoic acid
SMILESCCOC(COc1cc(F)ccc1F)C(=O)O
InChIInChI=1S/C11H12F2O4/c1-2-16-10(11(14)15)6-17-9-5-7(12)3-4-8(9)13/h3-5,10H,2,6H2,1H3,(H,14,15)
InChIKeyUYHXVKPJESJQKP-UHFFFAOYSA-N
XLogP1.83
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

3-(2,5-difluorophenyl)sulfanyl-2-ethoxypropanoic acid
CID 63099819
3-(2,5-difluorophenoxy)-2-phenylpropanoic acid
CID 63272958
3-(4-chloro-3-fluorophenoxy)-2-ethoxypropanoic acid
CID 82727545
2-ethoxy-3-phenoxypropanoic acid
CID 63074298
3-amino-2-(2,5-difluorophenoxy)propanoic acid
CID 64695247
2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propanoic acid
CID 55167943
ethyl 3-(2,5-difluorophenoxy)propanoate
CID 63268646
(2R)-3-(2,4-difluorophenoxy)-2-methylpropanoic acid
CID 59456425
1-(2,5-difluorophenoxy)pentan-2-one
CID 63269916
2-ethoxy-3-(4-propoxyphenoxy)propanoic acid
CID 63074316
3-(2,5-difluorophenoxy)-2-(propan-2-ylamino)propanamide
CID 63269588
1-amino-3-(2,5-difluorophenoxy)propan-2-ol
CID 63269333

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenoxy)-2-ethoxypropanoic acid?
The IUPAC name of 3-(2,5-difluorophenoxy)-2-ethoxypropanoic acid (CID 63272996) is 3-(2,5-difluorophenoxy)-2-ethoxypropanoic acid.
What is the SMILES notation for 3-(2,5-difluorophenoxy)-2-ethoxypropanoic acid?
The canonical SMILES for 3-(2,5-difluorophenoxy)-2-ethoxypropanoic acid is CCOC(COc1cc(F)ccc1F)C(=O)O.
What is the InChIKey of 3-(2,5-difluorophenoxy)-2-ethoxypropanoic acid?
The InChIKey is UYHXVKPJESJQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O4/c1-2-16-10(11(14)15)6-17-9-5-7(12)3-4-8(9)13/h3-5,10H,2,6H2,1H3,(H,14,15).
What are the key properties of 3-(2,5-difluorophenoxy)-2-ethoxypropanoic acid?
3-(2,5-difluorophenoxy)-2-ethoxypropanoic acid has a molecular weight of 246.21 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenoxy)-2-ethoxypropanoic acid is sourced from PubChem (CID 63272996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).