1-(2-fluoro-6-iodophenyl)ethanone

C8H6FIO — CID 20777138

IUPAC1-(2-fluoro-6-iodophenyl)ethanone
SMILESCC(=O)c1c(F)cccc1I
InChIInChI=1S/C8H6FIO/c1-5(11)8-6(9)3-2-4-7(8)10/h2-4H,1H3
InChIKeyKOJAFBBJMAKJQF-UHFFFAOYSA-N
MW264.04 g/mol
LogP2.63
Rot. Bonds1

About 1-(2-fluoro-6-iodophenyl)ethanone

1-(2-fluoro-6-iodophenyl)ethanone (PubChem CID 20777138) has the molecular formula C8H6FIO and a molecular weight of 264.04 g/mol. Its IUPAC name is 1-(2-fluoro-6-iodophenyl)ethanone.

Molecular Properties

Compound Name1-(2-fluoro-6-iodophenyl)ethanone
PubChem CID20777138
Molecular FormulaC8H6FIO
Molecular Weight264.04 g/mol
Exact Mass263.94
IUPAC Name1-(2-fluoro-6-iodophenyl)ethanone
SMILESCC(=O)c1c(F)cccc1I
InChIInChI=1S/C8H6FIO/c1-5(11)8-6(9)3-2-4-7(8)10/h2-4H,1H3
InChIKeyKOJAFBBJMAKJQF-UHFFFAOYSA-N
XLogP2.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.04
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-6-iodo-N-pent-3-enylbenzamide
CID 71918677
1-[2-fluoro-6-(4-fluorophenyl)phenyl]ethanone
CID 175686731
[3,5-bis[(2-fluoro-6-iodobenzoyl)oxymethyl]-2,4,6-trimethylphenyl]methyl 2-fluoro-6-iodobenzoate
CID 102414282
1-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
CID 100913450
N-(2-cyanopropyl)-2-fluoro-6-iodobenzamide
CID 71918653
carbanide;1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone;tungsten
CID 158241209
CID 158943354
CID 158943354
1-(3-chloro-2-fluoro-6-iodophenyl)ethanone
CID 164892714
N-[(2R)-2-(ethylamino)propyl]-2-fluoro-6-iodobenzamide;hydrochloride
CID 120650172
1-[2-fluoro-6-(methylaminomethyl)phenyl]ethanone
CID 166978041
[3-(dimethylamino)azetidin-1-yl]-(2-fluoro-6-iodophenyl)methanone
CID 172646736
1-(2,6-difluorophenyl)butane-1,3-dione
CID 43089596

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-iodophenyl)ethanone?
The IUPAC name of 1-(2-fluoro-6-iodophenyl)ethanone (CID 20777138) is 1-(2-fluoro-6-iodophenyl)ethanone.
What is the SMILES notation for 1-(2-fluoro-6-iodophenyl)ethanone?
The canonical SMILES for 1-(2-fluoro-6-iodophenyl)ethanone is CC(=O)c1c(F)cccc1I.
What is the InChIKey of 1-(2-fluoro-6-iodophenyl)ethanone?
The InChIKey is KOJAFBBJMAKJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FIO/c1-5(11)8-6(9)3-2-4-7(8)10/h2-4H,1H3.
What are the key properties of 1-(2-fluoro-6-iodophenyl)ethanone?
1-(2-fluoro-6-iodophenyl)ethanone has a molecular weight of 264.04 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-iodophenyl)ethanone is sourced from PubChem (CID 20777138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).