2,2-difluoro-2-iodoacetaldehyde

C2HF2IO — CID 122680830

IUPAC2,2-difluoro-2-iodoacetaldehyde
SMILESO=CC(F)(F)I
InChIInChI=1S/C2HF2IO/c3-2(4,5)1-6/h1H
InChIKeyFHAXATXHTSZFFZ-UHFFFAOYSA-N
MW205.93 g/mol
LogP1.21
Rot. Bonds1

About 2,2-difluoro-2-iodoacetaldehyde

2,2-difluoro-2-iodoacetaldehyde (PubChem CID 122680830) has the molecular formula C2HF2IO and a molecular weight of 205.93 g/mol. Its IUPAC name is 2,2-difluoro-2-iodoacetaldehyde.

Molecular Properties

Compound Name2,2-difluoro-2-iodoacetaldehyde
PubChem CID122680830
Molecular FormulaC2HF2IO
Molecular Weight205.93 g/mol
Exact Mass205.90
IUPAC Name2,2-difluoro-2-iodoacetaldehyde
SMILESO=CC(F)(F)I
InChIInChI=1S/C2HF2IO/c3-2(4,5)1-6/h1H
InChIKeyFHAXATXHTSZFFZ-UHFFFAOYSA-N
XLogP1.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.93
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-iodoacetaldehyde?
The IUPAC name of 2,2-difluoro-2-iodoacetaldehyde (CID 122680830) is 2,2-difluoro-2-iodoacetaldehyde.
What is the SMILES notation for 2,2-difluoro-2-iodoacetaldehyde?
The canonical SMILES for 2,2-difluoro-2-iodoacetaldehyde is O=CC(F)(F)I.
What is the InChIKey of 2,2-difluoro-2-iodoacetaldehyde?
The InChIKey is FHAXATXHTSZFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF2IO/c3-2(4,5)1-6/h1H.
What are the key properties of 2,2-difluoro-2-iodoacetaldehyde?
2,2-difluoro-2-iodoacetaldehyde has a molecular weight of 205.93 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-iodoacetaldehyde is sourced from PubChem (CID 122680830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).