2-(3-fluorophenoxy)-1-(4-iodophenyl)ethanone

C14H10FIO2 — CID 43218799

IUPAC2-(3-fluorophenoxy)-1-(4-iodophenyl)ethanone
SMILESO=C(COc1cccc(F)c1)c1ccc(I)cc1
InChIInChI=1S/C14H10FIO2/c15-11-2-1-3-13(8-11)18-9-14(17)10-4-6-12(16)7-5-10/h1-8H,9H2
InChIKeyFWJHBDRRRZCKAA-UHFFFAOYSA-N
MW356.13 g/mol
LogP3.69
Rot. Bonds4

About 2-(3-fluorophenoxy)-1-(4-iodophenyl)ethanone

2-(3-fluorophenoxy)-1-(4-iodophenyl)ethanone (PubChem CID 43218799) has the molecular formula C14H10FIO2 and a molecular weight of 356.13 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-1-(4-iodophenyl)ethanone.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-1-(4-iodophenyl)ethanone
PubChem CID43218799
Molecular FormulaC14H10FIO2
Molecular Weight356.13 g/mol
Exact Mass355.97
IUPAC Name2-(3-fluorophenoxy)-1-(4-iodophenyl)ethanone
SMILESO=C(COc1cccc(F)c1)c1ccc(I)cc1
InChIInChI=1S/C14H10FIO2/c15-11-2-1-3-13(8-11)18-9-14(17)10-4-6-12(16)7-5-10/h1-8H,9H2
InChIKeyFWJHBDRRRZCKAA-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.13
LogP ≤ 53.69
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-fluorophenoxy)-1-(4-methoxyphenyl)ethanone
CID 43413421
1-(3,4-dimethylphenyl)-2-(3-fluorophenoxy)ethanone
CID 43413436
2-(3-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43413435
2-(3,4-difluorophenoxy)-1-(4-iodophenyl)ethanone
CID 43612503
1-(4-iodophenyl)-2-(3-methylsulfonylphenoxy)ethanone
CID 43612905
1-(3,4-difluorophenyl)-2-(3-iodophenoxy)ethanone
CID 60626716
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluorophenoxy)ethanone
CID 43413398
[2-(4-iodoanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 23855950
2-(3-fluorophenoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 43413394
2-(3-ethoxyphenoxy)-1-(4-ethylphenyl)ethanone
CID 62338272
2-(3-chloro-4-fluorophenoxy)-1-(3-fluorophenyl)ethanone
CID 60675294
1-(2,5-dibromothiophen-3-yl)-2-(3-fluorophenoxy)ethanone
CID 43220054

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-1-(4-iodophenyl)ethanone?
The IUPAC name of 2-(3-fluorophenoxy)-1-(4-iodophenyl)ethanone (CID 43218799) is 2-(3-fluorophenoxy)-1-(4-iodophenyl)ethanone.
What is the SMILES notation for 2-(3-fluorophenoxy)-1-(4-iodophenyl)ethanone?
The canonical SMILES for 2-(3-fluorophenoxy)-1-(4-iodophenyl)ethanone is O=C(COc1cccc(F)c1)c1ccc(I)cc1.
What is the InChIKey of 2-(3-fluorophenoxy)-1-(4-iodophenyl)ethanone?
The InChIKey is FWJHBDRRRZCKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FIO2/c15-11-2-1-3-13(8-11)18-9-14(17)10-4-6-12(16)7-5-10/h1-8H,9H2.
What are the key properties of 2-(3-fluorophenoxy)-1-(4-iodophenyl)ethanone?
2-(3-fluorophenoxy)-1-(4-iodophenyl)ethanone has a molecular weight of 356.13 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-1-(4-iodophenyl)ethanone is sourced from PubChem (CID 43218799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).