1-(3,4-difluorophenyl)-2-(3-iodophenoxy)ethanone

C14H9F2IO2 — CID 60626716

IUPAC1-(3,4-difluorophenyl)-2-(3-iodophenoxy)ethanone
SMILESO=C(COc1cccc(I)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H9F2IO2/c15-12-5-4-9(6-13(12)16)14(18)8-19-11-3-1-2-10(17)7-11/h1-7H,8H2
InChIKeyKZHKHUXNKSBWAY-UHFFFAOYSA-N
MW374.12 g/mol
LogP3.83
Rot. Bonds4

About 1-(3,4-difluorophenyl)-2-(3-iodophenoxy)ethanone

1-(3,4-difluorophenyl)-2-(3-iodophenoxy)ethanone (PubChem CID 60626716) has the molecular formula C14H9F2IO2 and a molecular weight of 374.12 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(3-iodophenoxy)ethanone.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(3-iodophenoxy)ethanone
PubChem CID60626716
Molecular FormulaC14H9F2IO2
Molecular Weight374.12 g/mol
Exact Mass373.96
IUPAC Name1-(3,4-difluorophenyl)-2-(3-iodophenoxy)ethanone
SMILESO=C(COc1cccc(I)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H9F2IO2/c15-12-5-4-9(6-13(12)16)14(18)8-19-11-3-1-2-10(17)7-11/h1-7H,8H2
InChIKeyKZHKHUXNKSBWAY-UHFFFAOYSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.12
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-difluorophenoxy)-1-(3,4-difluorophenyl)ethanone
CID 43612522
2-(3,4-difluorophenoxy)-1-(4-iodophenyl)ethanone
CID 43612503
2-(3-fluorophenoxy)-1-(4-iodophenyl)ethanone
CID 43218799
2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)ethanone
CID 105095876
1-(3-fluoro-4-methoxyphenyl)-2-(3-methoxyphenoxy)ethanone
CID 43220187
1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone
CID 43612513
2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone
CID 43612523
1-(3,4-difluorophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone
CID 107709229
2-(3-chloro-4-fluorophenoxy)-1-(3-fluorophenyl)ethanone
CID 60675294
N-[4-[2-(3-iodophenoxy)acetyl]phenyl]butanamide
CID 55357186
2-(3,4-difluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43612507
1-(3,4-dimethylphenyl)-2-(3-fluorophenoxy)ethanone
CID 43413436

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(3-iodophenoxy)ethanone?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(3-iodophenoxy)ethanone (CID 60626716) is 1-(3,4-difluorophenyl)-2-(3-iodophenoxy)ethanone.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(3-iodophenoxy)ethanone?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(3-iodophenoxy)ethanone is O=C(COc1cccc(I)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(3-iodophenoxy)ethanone?
The InChIKey is KZHKHUXNKSBWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2IO2/c15-12-5-4-9(6-13(12)16)14(18)8-19-11-3-1-2-10(17)7-11/h1-7H,8H2.
What are the key properties of 1-(3,4-difluorophenyl)-2-(3-iodophenoxy)ethanone?
1-(3,4-difluorophenyl)-2-(3-iodophenoxy)ethanone has a molecular weight of 374.12 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(3-iodophenoxy)ethanone is sourced from PubChem (CID 60626716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).