2-chloro-1-(2-chloro-3-fluoro-5-iodophenyl)ethanone

C8H4Cl2FIO — CID 171004829

IUPAC2-chloro-1-(2-chloro-3-fluoro-5-iodophenyl)ethanone
SMILESO=C(CCl)c1cc(I)cc(F)c1Cl
InChIInChI=1S/C8H4Cl2FIO/c9-3-7(13)5-1-4(12)2-6(11)8(5)10/h1-2H,3H2
InChIKeyFUOSBOWAYYAPRI-UHFFFAOYSA-N
MW332.93 g/mol
LogP3.51
Rot. Bonds2

About 2-chloro-1-(2-chloro-3-fluoro-5-iodophenyl)ethanone

2-chloro-1-(2-chloro-3-fluoro-5-iodophenyl)ethanone (PubChem CID 171004829) has the molecular formula C8H4Cl2FIO and a molecular weight of 332.93 g/mol. Its IUPAC name is 2-chloro-1-(2-chloro-3-fluoro-5-iodophenyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(2-chloro-3-fluoro-5-iodophenyl)ethanone
PubChem CID171004829
Molecular FormulaC8H4Cl2FIO
Molecular Weight332.93 g/mol
Exact Mass331.87
IUPAC Name2-chloro-1-(2-chloro-3-fluoro-5-iodophenyl)ethanone
SMILESO=C(CCl)c1cc(I)cc(F)c1Cl
InChIInChI=1S/C8H4Cl2FIO/c9-3-7(13)5-1-4(12)2-6(11)8(5)10/h1-2H,3H2
InChIKeyFUOSBOWAYYAPRI-UHFFFAOYSA-N
XLogP3.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.93
LogP ≤ 53.51
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

2-chloro-1-(2-chloro-5-iodo-3-methoxyphenyl)ethanone
CID 171003177
2-chloro-1-(4-chloro-2-fluorophenyl)ethanone
CID 45081012
2-chloro-1-(chloromethyl)-3-fluoro-5-iodobenzene
CID 171003596
2-chloro-1-(2,6-dichloro-4-iodophenyl)ethanone
CID 130153516
1-(5-bromo-3-fluoro-2-iodophenyl)-2-chloroethanone
CID 131620004
2-(2-chloroacetyl)-6-hydroxy-4-iodobenzonitrile
CID 171020132
2-chloro-1-(2,3-difluoro-5-hydroxyphenyl)ethanone
CID 130968300
2-chloro-1-(2-chloro-3-fluoro-4-methylphenyl)ethanone
CID 130775332
2-chloro-1-(3-fluoro-2-iodo-4-methylphenyl)ethanone
CID 171011725
2-bromo-1-(2,6-difluoro-4-iodophenyl)ethanone
CID 131349738
2,3-difluoro-5-iodobenzamide
CID 121345074
1-(4-bromo-2-fluoro-5-hydroxyphenyl)-2-chloroethanone
CID 131118712

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-chloro-3-fluoro-5-iodophenyl)ethanone?
The IUPAC name of 2-chloro-1-(2-chloro-3-fluoro-5-iodophenyl)ethanone (CID 171004829) is 2-chloro-1-(2-chloro-3-fluoro-5-iodophenyl)ethanone.
What is the SMILES notation for 2-chloro-1-(2-chloro-3-fluoro-5-iodophenyl)ethanone?
The canonical SMILES for 2-chloro-1-(2-chloro-3-fluoro-5-iodophenyl)ethanone is O=C(CCl)c1cc(I)cc(F)c1Cl.
What is the InChIKey of 2-chloro-1-(2-chloro-3-fluoro-5-iodophenyl)ethanone?
The InChIKey is FUOSBOWAYYAPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2FIO/c9-3-7(13)5-1-4(12)2-6(11)8(5)10/h1-2H,3H2.
What are the key properties of 2-chloro-1-(2-chloro-3-fluoro-5-iodophenyl)ethanone?
2-chloro-1-(2-chloro-3-fluoro-5-iodophenyl)ethanone has a molecular weight of 332.93 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-chloro-3-fluoro-5-iodophenyl)ethanone is sourced from PubChem (CID 171004829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).