2-fluoro-1-(3-methoxyphenyl)ethanone

C9H9FO2 — CID 13276219

IUPAC2-fluoro-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)CF)c1
InChIInChI=1S/C9H9FO2/c1-12-8-4-2-3-7(5-8)9(11)6-10/h2-5H,6H2,1H3
InChIKeyAPIXJJJKZGSCON-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.85
Rot. Bonds3

About 2-fluoro-1-(3-methoxyphenyl)ethanone

2-fluoro-1-(3-methoxyphenyl)ethanone (PubChem CID 13276219) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is 2-fluoro-1-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-fluoro-1-(3-methoxyphenyl)ethanone
PubChem CID13276219
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name2-fluoro-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)CF)c1
InChIInChI=1S/C9H9FO2/c1-12-8-4-2-3-7(5-8)9(11)6-10/h2-5H,6H2,1H3
InChIKeyAPIXJJJKZGSCON-UHFFFAOYSA-N
XLogP1.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(3-methoxyphenyl)ethanone?
The IUPAC name of 2-fluoro-1-(3-methoxyphenyl)ethanone (CID 13276219) is 2-fluoro-1-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-fluoro-1-(3-methoxyphenyl)ethanone?
The canonical SMILES for 2-fluoro-1-(3-methoxyphenyl)ethanone is COc1cccc(C(=O)CF)c1.
What is the InChIKey of 2-fluoro-1-(3-methoxyphenyl)ethanone?
The InChIKey is APIXJJJKZGSCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2/c1-12-8-4-2-3-7(5-8)9(11)6-10/h2-5H,6H2,1H3.
What are the key properties of 2-fluoro-1-(3-methoxyphenyl)ethanone?
2-fluoro-1-(3-methoxyphenyl)ethanone has a molecular weight of 168.17 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 13276219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).