2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-iodophenyl)ethanone

C14H8ClF2IO — CID 114029999

IUPAC2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-iodophenyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1F)c1ccc(F)cc1I
InChIInChI=1S/C14H8ClF2IO/c15-11-3-1-2-8(14(11)17)6-13(19)10-5-4-9(16)7-12(10)18/h1-5,7H,6H2
InChIKeyBQNGCTLUULTLNH-UHFFFAOYSA-N
MW392.57 g/mol
LogP4.65
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-iodophenyl)ethanone

2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-iodophenyl)ethanone (PubChem CID 114029999) has the molecular formula C14H8ClF2IO and a molecular weight of 392.57 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-iodophenyl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-iodophenyl)ethanone
PubChem CID114029999
Molecular FormulaC14H8ClF2IO
Molecular Weight392.57 g/mol
Exact Mass391.93
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-iodophenyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1F)c1ccc(F)cc1I
InChIInChI=1S/C14H8ClF2IO/c15-11-3-1-2-8(14(11)17)6-13(19)10-5-4-9(16)7-12(10)18/h1-5,7H,6H2
InChIKeyBQNGCTLUULTLNH-UHFFFAOYSA-N
XLogP4.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 82803043
2-(3-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 82802165
2-(2-chloro-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)ethanone
CID 102617677
1-(2-chloro-5-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one
CID 102617799
2-(2-chloro-3-fluorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 112653310
2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanone
CID 82802598
1-(2-bromo-4-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one
CID 82803394
2-(2,5-dimethylphenyl)-1-(4-fluoro-2-iodophenyl)ethanone
CID 114029336
2-(3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 82802596
2-(2-chlorophenyl)-1-(5-fluoro-2-hydroxyphenyl)ethanone
CID 2778590
2-(3-chloro-2-fluorophenyl)acetamide
CID 91291585
2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanone
CID 82802493

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-iodophenyl)ethanone?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-iodophenyl)ethanone (CID 114029999) is 2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-iodophenyl)ethanone.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-iodophenyl)ethanone?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-iodophenyl)ethanone is O=C(Cc1cccc(Cl)c1F)c1ccc(F)cc1I.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-iodophenyl)ethanone?
The InChIKey is BQNGCTLUULTLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2IO/c15-11-3-1-2-8(14(11)17)6-13(19)10-5-4-9(16)7-12(10)18/h1-5,7H,6H2.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-iodophenyl)ethanone?
2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-iodophenyl)ethanone has a molecular weight of 392.57 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-iodophenyl)ethanone is sourced from PubChem (CID 114029999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).