1-(3-fluoro-4-hydroxy-2-iodophenyl)ethanone

C8H6FIO2 — CID 171016742

IUPAC1-(3-fluoro-4-hydroxy-2-iodophenyl)ethanone
SMILESCC(=O)c1ccc(O)c(F)c1I
InChIInChI=1S/C8H6FIO2/c1-4(11)5-2-3-6(12)7(9)8(5)10/h2-3,12H,1H3
InChIKeyPBGQKGMOSFQATB-UHFFFAOYSA-N
MW280.04 g/mol
LogP2.34
Rot. Bonds1

About 1-(3-fluoro-4-hydroxy-2-iodophenyl)ethanone

1-(3-fluoro-4-hydroxy-2-iodophenyl)ethanone (PubChem CID 171016742) has the molecular formula C8H6FIO2 and a molecular weight of 280.04 g/mol. Its IUPAC name is 1-(3-fluoro-4-hydroxy-2-iodophenyl)ethanone.

Molecular Properties

Compound Name1-(3-fluoro-4-hydroxy-2-iodophenyl)ethanone
PubChem CID171016742
Molecular FormulaC8H6FIO2
Molecular Weight280.04 g/mol
Exact Mass279.94
IUPAC Name1-(3-fluoro-4-hydroxy-2-iodophenyl)ethanone
SMILESCC(=O)c1ccc(O)c(F)c1I
InChIInChI=1S/C8H6FIO2/c1-4(11)5-2-3-6(12)7(9)8(5)10/h2-3,12H,1H3
InChIKeyPBGQKGMOSFQATB-UHFFFAOYSA-N
XLogP2.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.04
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-hydroxy-2-iodophenyl)ethanone?
The IUPAC name of 1-(3-fluoro-4-hydroxy-2-iodophenyl)ethanone (CID 171016742) is 1-(3-fluoro-4-hydroxy-2-iodophenyl)ethanone.
What is the SMILES notation for 1-(3-fluoro-4-hydroxy-2-iodophenyl)ethanone?
The canonical SMILES for 1-(3-fluoro-4-hydroxy-2-iodophenyl)ethanone is CC(=O)c1ccc(O)c(F)c1I.
What is the InChIKey of 1-(3-fluoro-4-hydroxy-2-iodophenyl)ethanone?
The InChIKey is PBGQKGMOSFQATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FIO2/c1-4(11)5-2-3-6(12)7(9)8(5)10/h2-3,12H,1H3.
What are the key properties of 1-(3-fluoro-4-hydroxy-2-iodophenyl)ethanone?
1-(3-fluoro-4-hydroxy-2-iodophenyl)ethanone has a molecular weight of 280.04 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-hydroxy-2-iodophenyl)ethanone is sourced from PubChem (CID 171016742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).