4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene-1,3-dione

C6F8O2 — CID 12656416

IUPAC4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene-1,3-dione
SMILESO=C=C(C(=O)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6F8O2/c7-4(8,6(12,13)14)3(16)2(1-15)5(9,10)11
InChIKeyAZTFVXMLMYXUJS-UHFFFAOYSA-N
MW256.05 g/mol
LogP2.07
Rot. Bonds2

About 4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene-1,3-dione

4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene-1,3-dione (PubChem CID 12656416) has the molecular formula C6F8O2 and a molecular weight of 256.05 g/mol. Its IUPAC name is 4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene-1,3-dione.

Molecular Properties

Compound Name4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene-1,3-dione
PubChem CID12656416
Molecular FormulaC6F8O2
Molecular Weight256.05 g/mol
Exact Mass255.98
IUPAC Name4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene-1,3-dione
SMILESO=C=C(C(=O)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6F8O2/c7-4(8,6(12,13)14)3(16)2(1-15)5(9,10)11
InChIKeyAZTFVXMLMYXUJS-UHFFFAOYSA-N
XLogP2.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.05
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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)pent-1-ene-1,3-dione?
The IUPAC name of 4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene-1,3-dione (CID 12656416) is 4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene-1,3-dione.
What is the SMILES notation for 4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene-1,3-dione?
The canonical SMILES for 4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene-1,3-dione is O=C=C(C(=O)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene-1,3-dione?
The InChIKey is AZTFVXMLMYXUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F8O2/c7-4(8,6(12,13)14)3(16)2(1-15)5(9,10)11.
What are the key properties of 4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene-1,3-dione?
4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene-1,3-dione has a molecular weight of 256.05 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene-1,3-dione is sourced from PubChem (CID 12656416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).