2-(2,3-difluorophenyl)-2,2-difluoroacetaldehyde

C8H4F4O — CID 105445622

IUPAC2-(2,3-difluorophenyl)-2,2-difluoroacetaldehyde
SMILESO=CC(F)(F)c1cccc(F)c1F
InChIInChI=1S/C8H4F4O/c9-6-3-1-2-5(7(6)10)8(11,12)4-13/h1-4H
InChIKeyWBIWNPWMSDSRHI-UHFFFAOYSA-N
MW192.11 g/mol
LogP2.26
Rot. Bonds2

About 2-(2,3-difluorophenyl)-2,2-difluoroacetaldehyde

2-(2,3-difluorophenyl)-2,2-difluoroacetaldehyde (PubChem CID 105445622) has the molecular formula C8H4F4O and a molecular weight of 192.11 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-2,2-difluoroacetaldehyde.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-2,2-difluoroacetaldehyde
PubChem CID105445622
Molecular FormulaC8H4F4O
Molecular Weight192.11 g/mol
Exact Mass192.02
IUPAC Name2-(2,3-difluorophenyl)-2,2-difluoroacetaldehyde
SMILESO=CC(F)(F)c1cccc(F)c1F
InChIInChI=1S/C8H4F4O/c9-6-3-1-2-5(7(6)10)8(11,12)4-13/h1-4H
InChIKeyWBIWNPWMSDSRHI-UHFFFAOYSA-N
XLogP2.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.11
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-2,2-difluoroacetaldehyde?
The IUPAC name of 2-(2,3-difluorophenyl)-2,2-difluoroacetaldehyde (CID 105445622) is 2-(2,3-difluorophenyl)-2,2-difluoroacetaldehyde.
What is the SMILES notation for 2-(2,3-difluorophenyl)-2,2-difluoroacetaldehyde?
The canonical SMILES for 2-(2,3-difluorophenyl)-2,2-difluoroacetaldehyde is O=CC(F)(F)c1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-2,2-difluoroacetaldehyde?
The InChIKey is WBIWNPWMSDSRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4O/c9-6-3-1-2-5(7(6)10)8(11,12)4-13/h1-4H.
What are the key properties of 2-(2,3-difluorophenyl)-2,2-difluoroacetaldehyde?
2-(2,3-difluorophenyl)-2,2-difluoroacetaldehyde has a molecular weight of 192.11 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-2,2-difluoroacetaldehyde is sourced from PubChem (CID 105445622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).