1-[3-fluoro-2,4,6-tris(methoxymethyl)phenyl]ethanone

C14H19FO4 — CID 88656859

IUPAC1-[3-fluoro-2,4,6-tris(methoxymethyl)phenyl]ethanone
SMILESCOCc1cc(COC)c(C(C)=O)c(COC)c1F
InChIInChI=1S/C14H19FO4/c1-9(16)13-10(6-17-2)5-11(7-18-3)14(15)12(13)8-19-4/h5H,6-8H2,1-4H3
InChIKeyYQKPDVFFHKPKDW-UHFFFAOYSA-N
MW270.30 g/mol
LogP2.47
Rot. Bonds7

About 1-[3-fluoro-2,4,6-tris(methoxymethyl)phenyl]ethanone

1-[3-fluoro-2,4,6-tris(methoxymethyl)phenyl]ethanone (PubChem CID 88656859) has the molecular formula C14H19FO4 and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-[3-fluoro-2,4,6-tris(methoxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-2,4,6-tris(methoxymethyl)phenyl]ethanone
PubChem CID88656859
Molecular FormulaC14H19FO4
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name1-[3-fluoro-2,4,6-tris(methoxymethyl)phenyl]ethanone
SMILESCOCc1cc(COC)c(C(C)=O)c(COC)c1F
InChIInChI=1S/C14H19FO4/c1-9(16)13-10(6-17-2)5-11(7-18-3)14(15)12(13)8-19-4/h5H,6-8H2,1-4H3
InChIKeyYQKPDVFFHKPKDW-UHFFFAOYSA-N
XLogP2.47
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2,4,6-tris(methoxymethyl)phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-2,4,6-tris(methoxymethyl)phenyl]ethanone (CID 88656859) is 1-[3-fluoro-2,4,6-tris(methoxymethyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-2,4,6-tris(methoxymethyl)phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-2,4,6-tris(methoxymethyl)phenyl]ethanone is COCc1cc(COC)c(C(C)=O)c(COC)c1F.
What is the InChIKey of 1-[3-fluoro-2,4,6-tris(methoxymethyl)phenyl]ethanone?
The InChIKey is YQKPDVFFHKPKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO4/c1-9(16)13-10(6-17-2)5-11(7-18-3)14(15)12(13)8-19-4/h5H,6-8H2,1-4H3.
What are the key properties of 1-[3-fluoro-2,4,6-tris(methoxymethyl)phenyl]ethanone?
1-[3-fluoro-2,4,6-tris(methoxymethyl)phenyl]ethanone has a molecular weight of 270.30 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2,4,6-tris(methoxymethyl)phenyl]ethanone is sourced from PubChem (CID 88656859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).