1-(3-fluorophenyl)-2-hydroxyethanone

C8H7FO2 — CID 18679602

IUPAC1-(3-fluorophenyl)-2-hydroxyethanone
SMILESO=C(CO)c1cccc(F)c1
InChIInChI=1S/C8H7FO2/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,10H,5H2
InChIKeyZOKOYYGAFCQIJG-UHFFFAOYSA-N
MW154.14 g/mol
LogP1.00
Rot. Bonds2

About 1-(3-fluorophenyl)-2-hydroxyethanone

1-(3-fluorophenyl)-2-hydroxyethanone (PubChem CID 18679602) has the molecular formula C8H7FO2 and a molecular weight of 154.14 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-hydroxyethanone
PubChem CID18679602
Molecular FormulaC8H7FO2
Molecular Weight154.14 g/mol
Exact Mass154.04
IUPAC Name1-(3-fluorophenyl)-2-hydroxyethanone
SMILESO=C(CO)c1cccc(F)c1
InChIInChI=1S/C8H7FO2/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,10H,5H2
InChIKeyZOKOYYGAFCQIJG-UHFFFAOYSA-N
XLogP1.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-hydroxyethanone?
The IUPAC name of 1-(3-fluorophenyl)-2-hydroxyethanone (CID 18679602) is 1-(3-fluorophenyl)-2-hydroxyethanone.
What is the SMILES notation for 1-(3-fluorophenyl)-2-hydroxyethanone?
The canonical SMILES for 1-(3-fluorophenyl)-2-hydroxyethanone is O=C(CO)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-hydroxyethanone?
The InChIKey is ZOKOYYGAFCQIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO2/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,10H,5H2.
What are the key properties of 1-(3-fluorophenyl)-2-hydroxyethanone?
1-(3-fluorophenyl)-2-hydroxyethanone has a molecular weight of 154.14 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-hydroxyethanone is sourced from PubChem (CID 18679602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).