2-(3,4-difluorophenoxy)-1-(4-iodophenyl)ethanone

C14H9F2IO2 — CID 43612503

IUPAC2-(3,4-difluorophenoxy)-1-(4-iodophenyl)ethanone
SMILESO=C(COc1ccc(F)c(F)c1)c1ccc(I)cc1
InChIInChI=1S/C14H9F2IO2/c15-12-6-5-11(7-13(12)16)19-8-14(18)9-1-3-10(17)4-2-9/h1-7H,8H2
InChIKeyRRTPAWOLGORJQH-UHFFFAOYSA-N
MW374.12 g/mol
LogP3.83
Rot. Bonds4

About 2-(3,4-difluorophenoxy)-1-(4-iodophenyl)ethanone

2-(3,4-difluorophenoxy)-1-(4-iodophenyl)ethanone (PubChem CID 43612503) has the molecular formula C14H9F2IO2 and a molecular weight of 374.12 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-1-(4-iodophenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-1-(4-iodophenyl)ethanone
PubChem CID43612503
Molecular FormulaC14H9F2IO2
Molecular Weight374.12 g/mol
Exact Mass373.96
IUPAC Name2-(3,4-difluorophenoxy)-1-(4-iodophenyl)ethanone
SMILESO=C(COc1ccc(F)c(F)c1)c1ccc(I)cc1
InChIInChI=1S/C14H9F2IO2/c15-12-6-5-11(7-13(12)16)19-8-14(18)9-1-3-10(17)4-2-9/h1-7H,8H2
InChIKeyRRTPAWOLGORJQH-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-methylphenyl)ethanone
CID 43612523
1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone
CID 43612513
4-[2-(3,4-difluorophenoxy)acetyl]benzonitrile
CID 43612525
2-(3,4-difluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43612507
1-(3,4-difluorophenyl)-2-(3-iodophenoxy)ethanone
CID 60626716
2-(3-fluorophenoxy)-1-(4-iodophenyl)ethanone
CID 43218799
2-(3,4-difluorophenoxy)-1-(4-nitrophenyl)ethanone
CID 43612540
2-(4-bromo-3-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 65201551
2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 83234474
(3,4-difluorophenyl)-(4-iodophenyl)methanone
CID 24723141
2-(3,4-difluorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 43612511

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-1-(4-iodophenyl)ethanone?
The IUPAC name of 2-(3,4-difluorophenoxy)-1-(4-iodophenyl)ethanone (CID 43612503) is 2-(3,4-difluorophenoxy)-1-(4-iodophenyl)ethanone.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-1-(4-iodophenyl)ethanone?
The canonical SMILES for 2-(3,4-difluorophenoxy)-1-(4-iodophenyl)ethanone is O=C(COc1ccc(F)c(F)c1)c1ccc(I)cc1.
What is the InChIKey of 2-(3,4-difluorophenoxy)-1-(4-iodophenyl)ethanone?
The InChIKey is RRTPAWOLGORJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2IO2/c15-12-6-5-11(7-13(12)16)19-8-14(18)9-1-3-10(17)4-2-9/h1-7H,8H2.
What are the key properties of 2-(3,4-difluorophenoxy)-1-(4-iodophenyl)ethanone?
2-(3,4-difluorophenoxy)-1-(4-iodophenyl)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 2-(3,4-difluorophenoxy)-1-(4-iodophenyl)ethanone is sourced from PubChem (CID 43612503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).