2,5-difluoro-3-iodobenzaldehyde

C7H3F2IO — CID 119015446

IUPAC2,5-difluoro-3-iodobenzaldehyde
SMILESO=Cc1cc(F)cc(I)c1F
InChIInChI=1S/C7H3F2IO/c8-5-1-4(3-11)7(9)6(10)2-5/h1-3H
InChIKeyOJKYKPSQVGBEBB-UHFFFAOYSA-N
MW268.00 g/mol
LogP2.38
Rot. Bonds1

About 2,5-difluoro-3-iodobenzaldehyde

2,5-difluoro-3-iodobenzaldehyde (PubChem CID 119015446) has the molecular formula C7H3F2IO and a molecular weight of 268.00 g/mol. Its IUPAC name is 2,5-difluoro-3-iodobenzaldehyde.

Molecular Properties

Compound Name2,5-difluoro-3-iodobenzaldehyde
PubChem CID119015446
Molecular FormulaC7H3F2IO
Molecular Weight268.00 g/mol
Exact Mass267.92
IUPAC Name2,5-difluoro-3-iodobenzaldehyde
SMILESO=Cc1cc(F)cc(I)c1F
InChIInChI=1S/C7H3F2IO/c8-5-1-4(3-11)7(9)6(10)2-5/h1-3H
InChIKeyOJKYKPSQVGBEBB-UHFFFAOYSA-N
XLogP2.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.00
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-3-iodobenzaldehyde?
The IUPAC name of 2,5-difluoro-3-iodobenzaldehyde (CID 119015446) is 2,5-difluoro-3-iodobenzaldehyde.
What is the SMILES notation for 2,5-difluoro-3-iodobenzaldehyde?
The canonical SMILES for 2,5-difluoro-3-iodobenzaldehyde is O=Cc1cc(F)cc(I)c1F.
What is the InChIKey of 2,5-difluoro-3-iodobenzaldehyde?
The InChIKey is OJKYKPSQVGBEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F2IO/c8-5-1-4(3-11)7(9)6(10)2-5/h1-3H.
What are the key properties of 2,5-difluoro-3-iodobenzaldehyde?
2,5-difluoro-3-iodobenzaldehyde has a molecular weight of 268.00 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-3-iodobenzaldehyde is sourced from PubChem (CID 119015446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).