1-(3-chloro-2-fluoro-6-iodophenyl)ethanone

C8H5ClFIO — CID 164892714

IUPAC1-(3-chloro-2-fluoro-6-iodophenyl)ethanone
SMILESCC(=O)c1c(I)ccc(Cl)c1F
InChIInChI=1S/C8H5ClFIO/c1-4(12)7-6(11)3-2-5(9)8(7)10/h2-3H,1H3
InChIKeyQIIGMNSHPHQDDY-UHFFFAOYSA-N
MW298.48 g/mol
LogP3.29
Rot. Bonds1

About 1-(3-chloro-2-fluoro-6-iodophenyl)ethanone

1-(3-chloro-2-fluoro-6-iodophenyl)ethanone (PubChem CID 164892714) has the molecular formula C8H5ClFIO and a molecular weight of 298.48 g/mol. Its IUPAC name is 1-(3-chloro-2-fluoro-6-iodophenyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-2-fluoro-6-iodophenyl)ethanone
PubChem CID164892714
Molecular FormulaC8H5ClFIO
Molecular Weight298.48 g/mol
Exact Mass297.91
IUPAC Name1-(3-chloro-2-fluoro-6-iodophenyl)ethanone
SMILESCC(=O)c1c(I)ccc(Cl)c1F
InChIInChI=1S/C8H5ClFIO/c1-4(12)7-6(11)3-2-5(9)8(7)10/h2-3H,1H3
InChIKeyQIIGMNSHPHQDDY-UHFFFAOYSA-N
XLogP3.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-fluoro-6-iodobenzoyl chloride
CID 164895010
1-(3-chloro-2-hydroxy-6-iodophenyl)ethanone
CID 171008221
1-[2-fluoro-6-iodo-3-(trifluoromethyl)phenyl]ethanone
CID 171012571
1-(3-bromo-6-chloro-2-fluorophenyl)ethanone
CID 83409943
1-chloro-2-fluoro-4-iodo-3-methylbenzene
CID 131011720
1-(2-fluoro-6-iodophenyl)ethanone
CID 20777138
1-(2-chloro-3-ethyl-6-iodophenyl)ethanone
CID 134341687
1-(3-chloro-6-fluoro-2-methylphenyl)ethanone
CID 84770201
1-[2-chloro-6-iodo-3-(trifluoromethoxy)phenyl]ethanone
CID 171006044
1-(3-chloro-2,5,6-trifluorophenyl)ethanone
CID 117298061
1-(6-chloro-2-fluoro-3-nitrophenyl)ethanone
CID 171008037
1-chloro-3-ethyl-2-fluoro-4-iodobenzene
CID 164893690

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluoro-6-iodophenyl)ethanone?
The IUPAC name of 1-(3-chloro-2-fluoro-6-iodophenyl)ethanone (CID 164892714) is 1-(3-chloro-2-fluoro-6-iodophenyl)ethanone.
What is the SMILES notation for 1-(3-chloro-2-fluoro-6-iodophenyl)ethanone?
The canonical SMILES for 1-(3-chloro-2-fluoro-6-iodophenyl)ethanone is CC(=O)c1c(I)ccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluoro-6-iodophenyl)ethanone?
The InChIKey is QIIGMNSHPHQDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFIO/c1-4(12)7-6(11)3-2-5(9)8(7)10/h2-3H,1H3.
What are the key properties of 1-(3-chloro-2-fluoro-6-iodophenyl)ethanone?
1-(3-chloro-2-fluoro-6-iodophenyl)ethanone has a molecular weight of 298.48 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluoro-6-iodophenyl)ethanone is sourced from PubChem (CID 164892714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).