1-(4-fluorophenyl)ethanone

C8H7FO — CID 9828

IUPAC1-(4-fluorophenyl)ethanone
SMILESCC(=O)c1ccc(F)cc1
InChIInChI=1S/C8H7FO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3
InChIKeyZDPAWHACYDRYIW-UHFFFAOYSA-N
MW138.14 g/mol
LogP2.03
Rot. Bonds1

About 1-(4-fluorophenyl)ethanone

1-(4-fluorophenyl)ethanone (PubChem CID 9828) has the molecular formula C8H7FO and a molecular weight of 138.14 g/mol. Its IUPAC name is 1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)ethanone
PubChem CID9828
Molecular FormulaC8H7FO
Molecular Weight138.14 g/mol
Exact Mass138.05
IUPAC Name1-(4-fluorophenyl)ethanone
SMILESCC(=O)c1ccc(F)cc1
InChIInChI=1S/C8H7FO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3
InChIKeyZDPAWHACYDRYIW-UHFFFAOYSA-N
XLogP2.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.14
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(4-fluorophenyl)ethanone (CID 9828) is 1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)ethanone is CC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)ethanone?
The InChIKey is ZDPAWHACYDRYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3.
What are the key properties of 1-(4-fluorophenyl)ethanone?
1-(4-fluorophenyl)ethanone has a molecular weight of 138.14 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 9828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).