3,3,4,4,5,5,5-heptafluoropentanal

C5H3F7O — CID 2782533

IUPAC3,3,4,4,5,5,5-heptafluoropentanal
SMILESO=CCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F7O/c6-3(7,1-2-13)4(8,9)5(10,11)12/h2H,1H2
InChIKeyFNUBKINEQIEODM-UHFFFAOYSA-N
MW212.06 g/mol
LogP2.41
Rot. Bonds3

About 3,3,4,4,5,5,5-heptafluoropentanal

3,3,4,4,5,5,5-heptafluoropentanal (PubChem CID 2782533) has the molecular formula C5H3F7O and a molecular weight of 212.06 g/mol. Its IUPAC name is 3,3,4,4,5,5,5-heptafluoropentanal.

Molecular Properties

Compound Name3,3,4,4,5,5,5-heptafluoropentanal
PubChem CID2782533
Molecular FormulaC5H3F7O
Molecular Weight212.06 g/mol
Exact Mass212.01
IUPAC Name3,3,4,4,5,5,5-heptafluoropentanal
SMILESO=CCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F7O/c6-3(7,1-2-13)4(8,9)5(10,11)12/h2H,1H2
InChIKeyFNUBKINEQIEODM-UHFFFAOYSA-N
XLogP2.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.06
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3,4,4,5,5,5-heptafluoropentanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,5-heptafluoropentanal?
The IUPAC name of 3,3,4,4,5,5,5-heptafluoropentanal (CID 2782533) is 3,3,4,4,5,5,5-heptafluoropentanal.
What is the SMILES notation for 3,3,4,4,5,5,5-heptafluoropentanal?
The canonical SMILES for 3,3,4,4,5,5,5-heptafluoropentanal is O=CCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,5-heptafluoropentanal?
The InChIKey is FNUBKINEQIEODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F7O/c6-3(7,1-2-13)4(8,9)5(10,11)12/h2H,1H2.
What are the key properties of 3,3,4,4,5,5,5-heptafluoropentanal?
3,3,4,4,5,5,5-heptafluoropentanal has a molecular weight of 212.06 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,5-heptafluoropentanal is sourced from PubChem (CID 2782533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).