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

C8H4ClF2IO — CID 131349757

IUPAC2-chloro-1-(2,6-difluoro-3-iodophenyl)ethanone
SMILESO=C(CCl)c1c(F)ccc(I)c1F
InChIInChI=1S/C8H4ClF2IO/c9-3-6(13)7-4(10)1-2-5(12)8(7)11/h1-2H,3H2
InChIKeyOSLABQILLQQKPV-UHFFFAOYSA-N
MW316.47 g/mol
LogP2.99
Rot. Bonds2

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

2-chloro-1-(2,6-difluoro-3-iodophenyl)ethanone (PubChem CID 131349757) has the molecular formula C8H4ClF2IO and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-chloro-1-(2,6-difluoro-3-iodophenyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(2,6-difluoro-3-iodophenyl)ethanone
PubChem CID131349757
Molecular FormulaC8H4ClF2IO
Molecular Weight316.47 g/mol
Exact Mass315.90
IUPAC Name2-chloro-1-(2,6-difluoro-3-iodophenyl)ethanone
SMILESO=C(CCl)c1c(F)ccc(I)c1F
InChIInChI=1S/C8H4ClF2IO/c9-3-6(13)7-4(10)1-2-5(12)8(7)11/h1-2H,3H2
InChIKeyOSLABQILLQQKPV-UHFFFAOYSA-N
XLogP2.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.99
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-(3-amino-2,6-difluorophenyl)-2-chloroethanone
CID 171017114
2-chloro-1-(3,6-difluoro-2-hydroxyphenyl)ethanone
CID 131169270
2-(2-chloroacetyl)-3-hydroxy-6-iodobenzonitrile
CID 171019496
2-chloro-1-[2-chloro-6-iodo-3-(trifluoromethyl)phenyl]ethanone
CID 171030134
2-chloro-1-(6-chloro-2-fluoro-3-methylphenyl)ethanone
CID 130775413
2-chloro-1-(6-fluoro-2-methyl-3-nitrophenyl)ethanone
CID 131480552
2-chloro-1-(6-iodo-2-methoxy-3-methylphenyl)ethanone
CID 171011799
1-(6-amino-3-chloro-2-fluorophenyl)-2-chloroethanone
CID 171021253
2-chloro-1-(3-fluoro-2-iodo-4-methylphenyl)ethanone
CID 171011725
2-chloro-1-(3,6-dichloro-2-iodophenyl)ethanone
CID 171009335
1,2,3-trifluoro-4-iodobenzene
CID 2779253
1-(3-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone
CID 130868467

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2,6-difluoro-3-iodophenyl)ethanone?
The IUPAC name of 2-chloro-1-(2,6-difluoro-3-iodophenyl)ethanone (CID 131349757) is 2-chloro-1-(2,6-difluoro-3-iodophenyl)ethanone.
What is the SMILES notation for 2-chloro-1-(2,6-difluoro-3-iodophenyl)ethanone?
The canonical SMILES for 2-chloro-1-(2,6-difluoro-3-iodophenyl)ethanone is O=C(CCl)c1c(F)ccc(I)c1F.
What is the InChIKey of 2-chloro-1-(2,6-difluoro-3-iodophenyl)ethanone?
The InChIKey is OSLABQILLQQKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF2IO/c9-3-6(13)7-4(10)1-2-5(12)8(7)11/h1-2H,3H2.
What are the key properties of 2-chloro-1-(2,6-difluoro-3-iodophenyl)ethanone?
2-chloro-1-(2,6-difluoro-3-iodophenyl)ethanone has a molecular weight of 316.47 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2,6-difluoro-3-iodophenyl)ethanone is sourced from PubChem (CID 131349757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).