4,4-difluoropentanal

C5H8F2O — CID 83853779

IUPAC4,4-difluoropentanal
SMILESCC(F)(F)CCC=O
InChIInChI=1S/C5H8F2O/c1-5(6,7)3-2-4-8/h4H,2-3H2,1H3
InChIKeyRGOOZDATOXURJO-UHFFFAOYSA-N
MW122.11 g/mol
LogP1.62
Rot. Bonds3

About 4,4-difluoropentanal

4,4-difluoropentanal (PubChem CID 83853779) has the molecular formula C5H8F2O and a molecular weight of 122.11 g/mol. Its IUPAC name is 4,4-difluoropentanal.

Molecular Properties

Compound Name4,4-difluoropentanal
PubChem CID83853779
Molecular FormulaC5H8F2O
Molecular Weight122.11 g/mol
Exact Mass122.05
IUPAC Name4,4-difluoropentanal
SMILESCC(F)(F)CCC=O
InChIInChI=1S/C5H8F2O/c1-5(6,7)3-2-4-8/h4H,2-3H2,1H3
InChIKeyRGOOZDATOXURJO-UHFFFAOYSA-N
XLogP1.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.11
LogP ≤ 51.62
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 4,4-difluoropentanal?
The IUPAC name of 4,4-difluoropentanal (CID 83853779) is 4,4-difluoropentanal.
What is the SMILES notation for 4,4-difluoropentanal?
The canonical SMILES for 4,4-difluoropentanal is CC(F)(F)CCC=O.
What is the InChIKey of 4,4-difluoropentanal?
The InChIKey is RGOOZDATOXURJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O/c1-5(6,7)3-2-4-8/h4H,2-3H2,1H3.
What are the key properties of 4,4-difluoropentanal?
4,4-difluoropentanal has a molecular weight of 122.11 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoropentanal is sourced from PubChem (CID 83853779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).