1-(2,6-difluoro-4-iodophenyl)-2,2,2-trifluoroethanone

C8H2F5IO — CID 50998410

IUPAC1-(2,6-difluoro-4-iodophenyl)-2,2,2-trifluoroethanone
SMILESO=C(c1c(F)cc(I)cc1F)C(F)(F)F
InChIInChI=1S/C8H2F5IO/c9-4-1-3(14)2-5(10)6(4)7(15)8(11,12)13/h1-2H
InChIKeyVWFPLVFACKIIMO-UHFFFAOYSA-N
MW336.00 g/mol
LogP3.31
Rot. Bonds1

About 1-(2,6-difluoro-4-iodophenyl)-2,2,2-trifluoroethanone

1-(2,6-difluoro-4-iodophenyl)-2,2,2-trifluoroethanone (PubChem CID 50998410) has the molecular formula C8H2F5IO and a molecular weight of 336.00 g/mol. Its IUPAC name is 1-(2,6-difluoro-4-iodophenyl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(2,6-difluoro-4-iodophenyl)-2,2,2-trifluoroethanone
PubChem CID50998410
Molecular FormulaC8H2F5IO
Molecular Weight336.00 g/mol
Exact Mass335.91
IUPAC Name1-(2,6-difluoro-4-iodophenyl)-2,2,2-trifluoroethanone
SMILESO=C(c1c(F)cc(I)cc1F)C(F)(F)F
InChIInChI=1S/C8H2F5IO/c9-4-1-3(14)2-5(10)6(4)7(15)8(11,12)13/h1-2H
InChIKeyVWFPLVFACKIIMO-UHFFFAOYSA-N
XLogP3.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.00
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-4-iodophenyl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(2,6-difluoro-4-iodophenyl)-2,2,2-trifluoroethanone (CID 50998410) is 1-(2,6-difluoro-4-iodophenyl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(2,6-difluoro-4-iodophenyl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(2,6-difluoro-4-iodophenyl)-2,2,2-trifluoroethanone is O=C(c1c(F)cc(I)cc1F)C(F)(F)F.
What is the InChIKey of 1-(2,6-difluoro-4-iodophenyl)-2,2,2-trifluoroethanone?
The InChIKey is VWFPLVFACKIIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F5IO/c9-4-1-3(14)2-5(10)6(4)7(15)8(11,12)13/h1-2H.
What are the key properties of 1-(2,6-difluoro-4-iodophenyl)-2,2,2-trifluoroethanone?
1-(2,6-difluoro-4-iodophenyl)-2,2,2-trifluoroethanone has a molecular weight of 336.00 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-4-iodophenyl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 50998410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).