1-fluoro-3-methoxypropan-2-one

C4H7FO2 — CID 163646896

IUPAC1-fluoro-3-methoxypropan-2-one
SMILESCOCC(=O)CF
InChIInChI=1S/C4H7FO2/c1-7-3-4(6)2-5/h2-3H2,1H3
InChIKeyIIZPLFXRTQIFFY-UHFFFAOYSA-N
MW106.10 g/mol
LogP0.17
Rot. Bonds3

About 1-fluoro-3-methoxypropan-2-one

1-fluoro-3-methoxypropan-2-one (PubChem CID 163646896) has the molecular formula C4H7FO2 and a molecular weight of 106.10 g/mol. Its IUPAC name is 1-fluoro-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-fluoro-3-methoxypropan-2-one
PubChem CID163646896
Molecular FormulaC4H7FO2
Molecular Weight106.10 g/mol
Exact Mass106.04
IUPAC Name1-fluoro-3-methoxypropan-2-one
SMILESCOCC(=O)CF
InChIInChI=1S/C4H7FO2/c1-7-3-4(6)2-5/h2-3H2,1H3
InChIKeyIIZPLFXRTQIFFY-UHFFFAOYSA-N
XLogP0.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.10
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methoxypropan-2-one?
The IUPAC name of 1-fluoro-3-methoxypropan-2-one (CID 163646896) is 1-fluoro-3-methoxypropan-2-one.
What is the SMILES notation for 1-fluoro-3-methoxypropan-2-one?
The canonical SMILES for 1-fluoro-3-methoxypropan-2-one is COCC(=O)CF.
What is the InChIKey of 1-fluoro-3-methoxypropan-2-one?
The InChIKey is IIZPLFXRTQIFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO2/c1-7-3-4(6)2-5/h2-3H2,1H3.
What are the key properties of 1-fluoro-3-methoxypropan-2-one?
1-fluoro-3-methoxypropan-2-one has a molecular weight of 106.10 g/mol, XLogP of 0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methoxypropan-2-one is sourced from PubChem (CID 163646896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).