1-(3,5-difluorophenyl)-3-(4-iodophenyl)propan-2-one

C15H11F2IO — CID 65476457

IUPAC1-(3,5-difluorophenyl)-3-(4-iodophenyl)propan-2-one
SMILESO=C(Cc1ccc(I)cc1)Cc1cc(F)cc(F)c1
InChIInChI=1S/C15H11F2IO/c16-12-5-11(6-13(17)9-12)8-15(19)7-10-1-3-14(18)4-2-10/h1-6,9H,7-8H2
InChIKeyFSJVAQNXZHKUGK-UHFFFAOYSA-N
MW372.15 g/mol
LogP3.92
Rot. Bonds4

About 1-(3,5-difluorophenyl)-3-(4-iodophenyl)propan-2-one

1-(3,5-difluorophenyl)-3-(4-iodophenyl)propan-2-one (PubChem CID 65476457) has the molecular formula C15H11F2IO and a molecular weight of 372.15 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-(4-iodophenyl)propan-2-one.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-(4-iodophenyl)propan-2-one
PubChem CID65476457
Molecular FormulaC15H11F2IO
Molecular Weight372.15 g/mol
Exact Mass371.98
IUPAC Name1-(3,5-difluorophenyl)-3-(4-iodophenyl)propan-2-one
SMILESO=C(Cc1ccc(I)cc1)Cc1cc(F)cc(F)c1
InChIInChI=1S/C15H11F2IO/c16-12-5-11(6-13(17)9-12)8-15(19)7-10-1-3-14(18)4-2-10/h1-6,9H,7-8H2
InChIKeyFSJVAQNXZHKUGK-UHFFFAOYSA-N
XLogP3.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.15
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3,5-difluorophenyl)-3-(4-iodophenyl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-aminophenyl)-3-(3,5-difluorophenyl)propan-2-one
CID 105411862
1-(3,5-difluorophenyl)-3-phenylpropan-2-one
CID 61496724
1-(4-chlorophenyl)-3-(4-iodophenyl)propan-2-one
CID 65477672
1-bromo-3-(3,5-difluorophenyl)propan-2-one
CID 53403276
1-(3,5-difluorophenyl)butan-2-one
CID 61496651
1-(3-bromo-5-fluorophenyl)-3-(4-chlorophenyl)propan-2-one
CID 79702459
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-(4-iodophenyl)propan-2-one;dihydrochloride
CID 67730424
1-(2-chloro-6-fluorophenyl)-3-(4-iodophenyl)propan-2-one
CID 65478707
1-(2,4-difluorophenyl)-2-(4-iodophenyl)ethanone
CID 65478906
1-(3,5-difluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one
CID 112642259
1-(3-bromo-5-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-one
CID 115786755
2-(4-iodophenyl)acetyl chloride
CID 13340573

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-(4-iodophenyl)propan-2-one?
The IUPAC name of 1-(3,5-difluorophenyl)-3-(4-iodophenyl)propan-2-one (CID 65476457) is 1-(3,5-difluorophenyl)-3-(4-iodophenyl)propan-2-one.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-(4-iodophenyl)propan-2-one?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-(4-iodophenyl)propan-2-one is O=C(Cc1ccc(I)cc1)Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-(4-iodophenyl)propan-2-one?
The InChIKey is FSJVAQNXZHKUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2IO/c16-12-5-11(6-13(17)9-12)8-15(19)7-10-1-3-14(18)4-2-10/h1-6,9H,7-8H2.
What are the key properties of 1-(3,5-difluorophenyl)-3-(4-iodophenyl)propan-2-one?
1-(3,5-difluorophenyl)-3-(4-iodophenyl)propan-2-one has a molecular weight of 372.15 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-(4-iodophenyl)propan-2-one is sourced from PubChem (CID 65476457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).