1-[4-fluoro-2-(methoxymethyl)phenyl]-2-(methylamino)ethanone

C11H14FNO2 — CID 117301294

IUPAC1-[4-fluoro-2-(methoxymethyl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc(F)cc1COC
InChIInChI=1S/C11H14FNO2/c1-13-6-11(14)10-4-3-9(12)5-8(10)7-15-2/h3-5,13H,6-7H2,1-2H3
InChIKeyQJMFXAILSFDYER-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.37
Rot. Bonds5

About 1-[4-fluoro-2-(methoxymethyl)phenyl]-2-(methylamino)ethanone

1-[4-fluoro-2-(methoxymethyl)phenyl]-2-(methylamino)ethanone (PubChem CID 117301294) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 1-[4-fluoro-2-(methoxymethyl)phenyl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[4-fluoro-2-(methoxymethyl)phenyl]-2-(methylamino)ethanone
PubChem CID117301294
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name1-[4-fluoro-2-(methoxymethyl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc(F)cc1COC
InChIInChI=1S/C11H14FNO2/c1-13-6-11(14)10-4-3-9(12)5-8(10)7-15-2/h3-5,13H,6-7H2,1-2H3
InChIKeyQJMFXAILSFDYER-UHFFFAOYSA-N
XLogP1.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(methoxymethyl)phenyl]-2-(methylamino)ethanone?
The IUPAC name of 1-[4-fluoro-2-(methoxymethyl)phenyl]-2-(methylamino)ethanone (CID 117301294) is 1-[4-fluoro-2-(methoxymethyl)phenyl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[4-fluoro-2-(methoxymethyl)phenyl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[4-fluoro-2-(methoxymethyl)phenyl]-2-(methylamino)ethanone is CNCC(=O)c1ccc(F)cc1COC.
What is the InChIKey of 1-[4-fluoro-2-(methoxymethyl)phenyl]-2-(methylamino)ethanone?
The InChIKey is QJMFXAILSFDYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-13-6-11(14)10-4-3-9(12)5-8(10)7-15-2/h3-5,13H,6-7H2,1-2H3.
What are the key properties of 1-[4-fluoro-2-(methoxymethyl)phenyl]-2-(methylamino)ethanone?
1-[4-fluoro-2-(methoxymethyl)phenyl]-2-(methylamino)ethanone has a molecular weight of 211.24 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(methoxymethyl)phenyl]-2-(methylamino)ethanone is sourced from PubChem (CID 117301294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).