2-(2-fluoroethoxy)propanoic acid

C5H9FO3 — CID 84648269

IUPAC2-(2-fluoroethoxy)propanoic acid
SMILESCC(OCCF)C(=O)O
InChIInChI=1S/C5H9FO3/c1-4(5(7)8)9-3-2-6/h4H,2-3H2,1H3,(H,7,8)
InChIKeyPCGOWKFZNYVGDG-UHFFFAOYSA-N
MW136.12 g/mol
LogP0.45
Rot. Bonds4

About 2-(2-fluoroethoxy)propanoic acid

2-(2-fluoroethoxy)propanoic acid (PubChem CID 84648269) has the molecular formula C5H9FO3 and a molecular weight of 136.12 g/mol. Its IUPAC name is 2-(2-fluoroethoxy)propanoic acid.

Molecular Properties

Compound Name2-(2-fluoroethoxy)propanoic acid
PubChem CID84648269
Molecular FormulaC5H9FO3
Molecular Weight136.12 g/mol
Exact Mass136.05
IUPAC Name2-(2-fluoroethoxy)propanoic acid
SMILESCC(OCCF)C(=O)O
InChIInChI=1S/C5H9FO3/c1-4(5(7)8)9-3-2-6/h4H,2-3H2,1H3,(H,7,8)
InChIKeyPCGOWKFZNYVGDG-UHFFFAOYSA-N
XLogP0.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.12
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3-difluorobutoxy)propanoic acid
CID 84658279
(2S)-2-(3,3,3-trifluoropropoxy)propanoic acid
CID 104876409
(2R)-2-(aminomethoxy)propanoic acid
CID 147031217
2-(2-aminooxyethoxy)propanoic acid
CID 175557781
(2S)-2-(2-methylsulfanylethoxy)propanoic acid
CID 104875904
2-but-3-enoxypropanoic acid
CID 43128770
2-[3-(propan-2-ylamino)propoxy]propanoic acid
CID 106939688
ethane-1,2-diol;2-ethoxypropanoic acid
CID 87566881
(2S)-2-but-3-ynoxypropanoic acid
CID 104876016
(2S)-2-heptoxypropanoic acid
CID 22301798
2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 172850156
2-ethoxypropanoic acid;methane
CID 160636954

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethoxy)propanoic acid?
The IUPAC name of 2-(2-fluoroethoxy)propanoic acid (CID 84648269) is 2-(2-fluoroethoxy)propanoic acid.
What is the SMILES notation for 2-(2-fluoroethoxy)propanoic acid?
The canonical SMILES for 2-(2-fluoroethoxy)propanoic acid is CC(OCCF)C(=O)O.
What is the InChIKey of 2-(2-fluoroethoxy)propanoic acid?
The InChIKey is PCGOWKFZNYVGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO3/c1-4(5(7)8)9-3-2-6/h4H,2-3H2,1H3,(H,7,8).
What are the key properties of 2-(2-fluoroethoxy)propanoic acid?
2-(2-fluoroethoxy)propanoic acid has a molecular weight of 136.12 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethoxy)propanoic acid is sourced from PubChem (CID 84648269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).