2-chloro-2-(2-iodophenyl)acetyl chloride

C8H5Cl2IO — CID 150251257

IUPAC2-chloro-2-(2-iodophenyl)acetyl chloride
SMILESO=C(Cl)C(Cl)c1ccccc1I
InChIInChI=1S/C8H5Cl2IO/c9-7(8(10)12)5-3-1-2-4-6(5)11/h1-4,7H
InChIKeyFZPIXEPYANNABO-UHFFFAOYSA-N
MW314.94 g/mol
LogP3.34
Rot. Bonds2

About 2-chloro-2-(2-iodophenyl)acetyl chloride

2-chloro-2-(2-iodophenyl)acetyl chloride (PubChem CID 150251257) has the molecular formula C8H5Cl2IO and a molecular weight of 314.94 g/mol. Its IUPAC name is 2-chloro-2-(2-iodophenyl)acetyl chloride.

Molecular Properties

Compound Name2-chloro-2-(2-iodophenyl)acetyl chloride
PubChem CID150251257
Molecular FormulaC8H5Cl2IO
Molecular Weight314.94 g/mol
Exact Mass313.88
IUPAC Name2-chloro-2-(2-iodophenyl)acetyl chloride
SMILESO=C(Cl)C(Cl)c1ccccc1I
InChIInChI=1S/C8H5Cl2IO/c9-7(8(10)12)5-3-1-2-4-6(5)11/h1-4,7H
InChIKeyFZPIXEPYANNABO-UHFFFAOYSA-N
XLogP3.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.94
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-naphthalen-1-ylacetyl chloride;methane
CID 174783201
2-(2-iodophenyl)propanedioic acid
CID 172796761
(2S)-2-hydroxy-2-(2-iodophenyl)acetic acid
CID 139199353
3-(2-iodophenyl)pentanediamide
CID 20546578
dichloromethane;2-iodobenzoyl chloride
CID 174929981
methyl (2R)-2-hydroxy-2-(2-iodophenyl)acetate
CID 134694409
methyl (2R)-2-amino-2-(2-iodophenyl)acetate;hydrochloride
CID 171230140
[bromo-(2-iodophenyl)methyl] acetate
CID 150189373
2-[2-(1-chloro-2-oxopropyl)-6-iodophenyl]acetic acid
CID 131265388
1,3-dichloro-1,3-bis(2-chlorophenyl)propan-2-one
CID 172741718
2-amino-1-(2-iodophenyl)ethanol
CID 14059960
N-(3-chlorobutyl)-2-iodobenzamide
CID 114301785

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(2-iodophenyl)acetyl chloride?
The IUPAC name of 2-chloro-2-(2-iodophenyl)acetyl chloride (CID 150251257) is 2-chloro-2-(2-iodophenyl)acetyl chloride.
What is the SMILES notation for 2-chloro-2-(2-iodophenyl)acetyl chloride?
The canonical SMILES for 2-chloro-2-(2-iodophenyl)acetyl chloride is O=C(Cl)C(Cl)c1ccccc1I.
What is the InChIKey of 2-chloro-2-(2-iodophenyl)acetyl chloride?
The InChIKey is FZPIXEPYANNABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2IO/c9-7(8(10)12)5-3-1-2-4-6(5)11/h1-4,7H.
What are the key properties of 2-chloro-2-(2-iodophenyl)acetyl chloride?
2-chloro-2-(2-iodophenyl)acetyl chloride has a molecular weight of 314.94 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(2-iodophenyl)acetyl chloride is sourced from PubChem (CID 150251257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).