2-chloro-1-(3,6-dichloro-2-iodophenyl)ethanone

C8H4Cl3IO — CID 171009335

IUPAC2-chloro-1-(3,6-dichloro-2-iodophenyl)ethanone
SMILESO=C(CCl)c1c(Cl)ccc(Cl)c1I
InChIInChI=1S/C8H4Cl3IO/c9-3-6(13)7-4(10)1-2-5(11)8(7)12/h1-2H,3H2
InChIKeyVOYTUEMZSJXTSE-UHFFFAOYSA-N
MW349.38 g/mol
LogP4.02
Rot. Bonds2

About 2-chloro-1-(3,6-dichloro-2-iodophenyl)ethanone

2-chloro-1-(3,6-dichloro-2-iodophenyl)ethanone (PubChem CID 171009335) has the molecular formula C8H4Cl3IO and a molecular weight of 349.38 g/mol. Its IUPAC name is 2-chloro-1-(3,6-dichloro-2-iodophenyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(3,6-dichloro-2-iodophenyl)ethanone
PubChem CID171009335
Molecular FormulaC8H4Cl3IO
Molecular Weight349.38 g/mol
Exact Mass347.84
IUPAC Name2-chloro-1-(3,6-dichloro-2-iodophenyl)ethanone
SMILESO=C(CCl)c1c(Cl)ccc(Cl)c1I
InChIInChI=1S/C8H4Cl3IO/c9-3-6(13)7-4(10)1-2-5(11)8(7)12/h1-2H,3H2
InChIKeyVOYTUEMZSJXTSE-UHFFFAOYSA-N
XLogP4.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-4-chloro-3-iodophenyl)-2-chloroethanone
CID 171001060
2-chloro-1-(2,6-dichloro-4-iodophenyl)ethanone
CID 130153516
2-chloro-1-(6-chloro-2-fluoro-3-methylphenyl)ethanone
CID 130775413
1-(2-amino-3-bromo-6-chlorophenyl)-2-chloroethanone
CID 171011539
3-chloro-2-iodo-6-methylbenzamide
CID 171003854
1-(6-amino-3-chloro-2-fluorophenyl)-2-chloroethanone
CID 171021253
1-(3-amino-6-chloro-2-nitrophenyl)-2-chloroethanone
CID 171022400
6-chloro-2-iodo-3-methylbenzamide
CID 171003803
2-chloro-1-(2,6-difluoro-3-iodophenyl)ethanone
CID 131349757
2-chloro-1-(2-chloro-3,6-dimethylphenyl)ethanone
CID 171008689
2-chloro-1-[6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanone
CID 171030175
2-chloro-1-(2-chloro-6-iodo-4-methoxyphenyl)ethanone
CID 171003358

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(3,6-dichloro-2-iodophenyl)ethanone?
The IUPAC name of 2-chloro-1-(3,6-dichloro-2-iodophenyl)ethanone (CID 171009335) is 2-chloro-1-(3,6-dichloro-2-iodophenyl)ethanone.
What is the SMILES notation for 2-chloro-1-(3,6-dichloro-2-iodophenyl)ethanone?
The canonical SMILES for 2-chloro-1-(3,6-dichloro-2-iodophenyl)ethanone is O=C(CCl)c1c(Cl)ccc(Cl)c1I.
What is the InChIKey of 2-chloro-1-(3,6-dichloro-2-iodophenyl)ethanone?
The InChIKey is VOYTUEMZSJXTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl3IO/c9-3-6(13)7-4(10)1-2-5(11)8(7)12/h1-2H,3H2.
What are the key properties of 2-chloro-1-(3,6-dichloro-2-iodophenyl)ethanone?
2-chloro-1-(3,6-dichloro-2-iodophenyl)ethanone has a molecular weight of 349.38 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(3,6-dichloro-2-iodophenyl)ethanone is sourced from PubChem (CID 171009335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).