1-(2-fluoro-4-methoxyphenyl)ethanone

C9H9FO2 — CID 592821

IUPAC1-(2-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(C)=O)c(F)c1
InChIInChI=1S/C9H9FO2/c1-6(11)8-4-3-7(12-2)5-9(8)10/h3-5H,1-2H3
InChIKeyPIRRWUMTIBFCCW-UHFFFAOYSA-N
MW168.17 g/mol
LogP2.04
Rot. Bonds2

About 1-(2-fluoro-4-methoxyphenyl)ethanone

1-(2-fluoro-4-methoxyphenyl)ethanone (PubChem CID 592821) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)ethanone
PubChem CID592821
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name1-(2-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(C)=O)c(F)c1
InChIInChI=1S/C9H9FO2/c1-6(11)8-4-3-7(12-2)5-9(8)10/h3-5H,1-2H3
InChIKeyPIRRWUMTIBFCCW-UHFFFAOYSA-N
XLogP2.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)ethanone?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)ethanone (CID 592821) is 1-(2-fluoro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)ethanone is COc1ccc(C(C)=O)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)ethanone?
The InChIKey is PIRRWUMTIBFCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2/c1-6(11)8-4-3-7(12-2)5-9(8)10/h3-5H,1-2H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)ethanone?
1-(2-fluoro-4-methoxyphenyl)ethanone has a molecular weight of 168.17 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 592821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).