1-(2,4-difluorophenyl)-2-(4-iodophenyl)ethanone

C14H9F2IO — CID 65478906

IUPAC1-(2,4-difluorophenyl)-2-(4-iodophenyl)ethanone
SMILESO=C(Cc1ccc(I)cc1)c1ccc(F)cc1F
InChIInChI=1S/C14H9F2IO/c15-10-3-6-12(13(16)8-10)14(18)7-9-1-4-11(17)5-2-9/h1-6,8H,7H2
InChIKeyRNPJGYVZDMATQK-UHFFFAOYSA-N
MW358.13 g/mol
LogP3.99
Rot. Bonds3

About 1-(2,4-difluorophenyl)-2-(4-iodophenyl)ethanone

1-(2,4-difluorophenyl)-2-(4-iodophenyl)ethanone (PubChem CID 65478906) has the molecular formula C14H9F2IO and a molecular weight of 358.13 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(4-iodophenyl)ethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(4-iodophenyl)ethanone
PubChem CID65478906
Molecular FormulaC14H9F2IO
Molecular Weight358.13 g/mol
Exact Mass357.97
IUPAC Name1-(2,4-difluorophenyl)-2-(4-iodophenyl)ethanone
SMILESO=C(Cc1ccc(I)cc1)c1ccc(F)cc1F
InChIInChI=1S/C14H9F2IO/c15-10-3-6-12(13(16)8-10)14(18)7-9-1-4-11(17)5-2-9/h1-6,8H,7H2
InChIKeyRNPJGYVZDMATQK-UHFFFAOYSA-N
XLogP3.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.13
LogP ≤ 53.99
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

1-(2,4-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 43337683
1-(5-fluoro-2-methylphenyl)-2-(4-iodophenyl)ethanone
CID 65477472
1-(2-fluoro-5-methylphenyl)-2-(4-iodophenyl)ethanone
CID 114974192
1-(2,4-difluorophenyl)-2-(2-fluorophenyl)ethanone
CID 43337688
2-bromo-1-(2,4-difluorophenyl)ethanone
CID 2774185
1-(5-amino-2,4-difluorophenyl)-2-(4-fluorophenyl)ethanone
CID 152905588
1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 43337712
2-(2,5-dichlorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 65317205
1-(2-chloro-4-fluorophenyl)-2-(4-ethylphenyl)ethanone
CID 63410277
1-(3,5-difluorophenyl)-3-(4-iodophenyl)propan-2-one
CID 65476457
2,4-difluorobenzoyl bromide
CID 87349807
1-(2,4-difluorophenyl)-4-methylpentane-1,3-dione
CID 63319815

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(4-iodophenyl)ethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(4-iodophenyl)ethanone (CID 65478906) is 1-(2,4-difluorophenyl)-2-(4-iodophenyl)ethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(4-iodophenyl)ethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(4-iodophenyl)ethanone is O=C(Cc1ccc(I)cc1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(4-iodophenyl)ethanone?
The InChIKey is RNPJGYVZDMATQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2IO/c15-10-3-6-12(13(16)8-10)14(18)7-9-1-4-11(17)5-2-9/h1-6,8H,7H2.
What are the key properties of 1-(2,4-difluorophenyl)-2-(4-iodophenyl)ethanone?
1-(2,4-difluorophenyl)-2-(4-iodophenyl)ethanone has a molecular weight of 358.13 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(4-iodophenyl)ethanone is sourced from PubChem (CID 65478906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).