4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanal

C6H4F8O — CID 23266237

IUPAC4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanal
SMILESO=CC(CC(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H4F8O/c7-4(8,6(12,13)14)1-3(2-15)5(9,10)11/h2-3H,1H2
InChIKeyVRLFPHXVDQOSRC-UHFFFAOYSA-N
MW244.08 g/mol
LogP2.95
Rot. Bonds3

About 4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanal

4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanal (PubChem CID 23266237) has the molecular formula C6H4F8O and a molecular weight of 244.08 g/mol. Its IUPAC name is 4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanal.

Molecular Properties

Compound Name4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanal
PubChem CID23266237
Molecular FormulaC6H4F8O
Molecular Weight244.08 g/mol
Exact Mass244.01
IUPAC Name4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanal
SMILESO=CC(CC(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H4F8O/c7-4(8,6(12,13)14)1-3(2-15)5(9,10)11/h2-3H,1H2
InChIKeyVRLFPHXVDQOSRC-UHFFFAOYSA-N
XLogP2.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 52.95
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'}

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanal?
The IUPAC name of 4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanal (CID 23266237) is 4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanal.
What is the SMILES notation for 4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanal?
The canonical SMILES for 4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanal is O=CC(CC(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanal?
The InChIKey is VRLFPHXVDQOSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F8O/c7-4(8,6(12,13)14)1-3(2-15)5(9,10)11/h2-3H,1H2.
What are the key properties of 4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanal?
4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanal has a molecular weight of 244.08 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanal is sourced from PubChem (CID 23266237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).