(2-fluoro-2-oxoethyl) propanoate

C5H7FO3 — CID 172682810

IUPAC(2-fluoro-2-oxoethyl) propanoate
SMILESCCC(=O)OCC(=O)F
InChIInChI=1S/C5H7FO3/c1-2-5(8)9-3-4(6)7/h2-3H2,1H3
InChIKeyAQDLMXAIHQHOAE-UHFFFAOYSA-N
MW134.11 g/mol
LogP0.44
Rot. Bonds3

About (2-fluoro-2-oxoethyl) propanoate

(2-fluoro-2-oxoethyl) propanoate (PubChem CID 172682810) has the molecular formula C5H7FO3 and a molecular weight of 134.11 g/mol. Its IUPAC name is (2-fluoro-2-oxoethyl) propanoate.

Molecular Properties

Compound Name(2-fluoro-2-oxoethyl) propanoate
PubChem CID172682810
Molecular FormulaC5H7FO3
Molecular Weight134.11 g/mol
Exact Mass134.04
IUPAC Name(2-fluoro-2-oxoethyl) propanoate
SMILESCCC(=O)OCC(=O)F
InChIInChI=1S/C5H7FO3/c1-2-5(8)9-3-4(6)7/h2-3H2,1H3
InChIKeyAQDLMXAIHQHOAE-UHFFFAOYSA-N
XLogP0.44
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.11
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2-ethylbut-2-enyl propanoate
CID 90757213
(2-ethoxy-2-oxoethyl) propanoate
CID 13301802
silylmethyl propanoate
CID 152513576
(2-acetyloxy-2-oxoethyl) propanoate
CID 57195909
sodium;hydride;(2-oxo-2-propanoyloxyethyl) propanoate
CID 175477931
[2-[2-[2-[2-(2-acetyloxy-2-oxoethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethyl] propanoate
CID 174477288
[2-(methylamino)-2-oxoethyl] propanoate
CID 131176227
alumane;ethyl propanoate
CID 174257559
ethyl propanoate;methane
CID 161360642
2-formylprop-2-enyl propanoate
CID 86109150
ethyl propanoate;titanium(4+);tetrachloride
CID 173205872
calcium;ethyl propanoate;hydride
CID 173132885

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-2-oxoethyl) propanoate?
The IUPAC name of (2-fluoro-2-oxoethyl) propanoate (CID 172682810) is (2-fluoro-2-oxoethyl) propanoate.
What is the SMILES notation for (2-fluoro-2-oxoethyl) propanoate?
The canonical SMILES for (2-fluoro-2-oxoethyl) propanoate is CCC(=O)OCC(=O)F.
What is the InChIKey of (2-fluoro-2-oxoethyl) propanoate?
The InChIKey is AQDLMXAIHQHOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO3/c1-2-5(8)9-3-4(6)7/h2-3H2,1H3.
What are the key properties of (2-fluoro-2-oxoethyl) propanoate?
(2-fluoro-2-oxoethyl) propanoate has a molecular weight of 134.11 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-2-oxoethyl) propanoate is sourced from PubChem (CID 172682810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).