2-fluoro-3-(4-fluorophenoxy)propanoic acid

C9H8F2O3 — CID 105454089

IUPAC2-fluoro-3-(4-fluorophenoxy)propanoic acid
SMILESO=C(O)C(F)COc1ccc(F)cc1
InChIInChI=1S/C9H8F2O3/c10-6-1-3-7(4-2-6)14-5-8(11)9(12)13/h1-4,8H,5H2,(H,12,13)
InChIKeySEUSOMAIAMXIHW-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.63
Rot. Bonds4

About 2-fluoro-3-(4-fluorophenoxy)propanoic acid

2-fluoro-3-(4-fluorophenoxy)propanoic acid (PubChem CID 105454089) has the molecular formula C9H8F2O3 and a molecular weight of 202.16 g/mol. Its IUPAC name is 2-fluoro-3-(4-fluorophenoxy)propanoic acid.

Molecular Properties

Compound Name2-fluoro-3-(4-fluorophenoxy)propanoic acid
PubChem CID105454089
Molecular FormulaC9H8F2O3
Molecular Weight202.16 g/mol
Exact Mass202.04
IUPAC Name2-fluoro-3-(4-fluorophenoxy)propanoic acid
SMILESO=C(O)C(F)COc1ccc(F)cc1
InChIInChI=1S/C9H8F2O3/c10-6-1-3-7(4-2-6)14-5-8(11)9(12)13/h1-4,8H,5H2,(H,12,13)
InChIKeySEUSOMAIAMXIHW-UHFFFAOYSA-N
XLogP1.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluorophenoxy)-3-hydroxybutanoic acid
CID 22564574
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
2-acetamido-3-(4-fluorophenoxy)propanoic acid
CID 65442176
3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoic acid
CID 117244430
(2R)-4-[[(4R)-4-carboxy-1-(4-fluorophenoxy)hexan-2-yl]oxymethoxy]-2-ethyl-5-(4-fluorophenoxy)pentanoic acid
CID 139917457
3-[(4-fluorophenoxy)methyl]-4-methylpentanoic acid
CID 112508529
2-fluoro-3-(2-methylphenoxy)propanoic acid
CID 105451332
2-(4-fluorophenoxy)propanoic acid
CID 3872140
3-(4-fluorophenoxy)-2-(3-methylphenyl)propanoic acid
CID 117243455
(2R)-3-(4-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 58736947
1-fluoro-4-[(4-fluorophenoxy)methoxymethoxy]benzene
CID 580551
(2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid
CID 92918438

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(4-fluorophenoxy)propanoic acid?
The IUPAC name of 2-fluoro-3-(4-fluorophenoxy)propanoic acid (CID 105454089) is 2-fluoro-3-(4-fluorophenoxy)propanoic acid.
What is the SMILES notation for 2-fluoro-3-(4-fluorophenoxy)propanoic acid?
The canonical SMILES for 2-fluoro-3-(4-fluorophenoxy)propanoic acid is O=C(O)C(F)COc1ccc(F)cc1.
What is the InChIKey of 2-fluoro-3-(4-fluorophenoxy)propanoic acid?
The InChIKey is SEUSOMAIAMXIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O3/c10-6-1-3-7(4-2-6)14-5-8(11)9(12)13/h1-4,8H,5H2,(H,12,13).
What are the key properties of 2-fluoro-3-(4-fluorophenoxy)propanoic acid?
2-fluoro-3-(4-fluorophenoxy)propanoic acid has a molecular weight of 202.16 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(4-fluorophenoxy)propanoic acid is sourced from PubChem (CID 105454089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).