1,1,1,5,5,5-hexafluoro-3,3-bis(prop-2-enyl)pentane-2,4-dione

C11H10F6O2 — CID 58705070

IUPAC1,1,1,5,5,5-hexafluoro-3,3-bis(prop-2-enyl)pentane-2,4-dione
SMILESC=CCC(CC=C)(C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C11H10F6O2/c1-3-5-9(6-4-2,7(18)10(12,13)14)8(19)11(15,16)17/h3-4H,1-2,5-6H2
InChIKeyWCAVDFHYIACJDI-UHFFFAOYSA-N
MW288.19 g/mol
LogP3.39
Rot. Bonds6

About 1,1,1,5,5,5-hexafluoro-3,3-bis(prop-2-enyl)pentane-2,4-dione

1,1,1,5,5,5-hexafluoro-3,3-bis(prop-2-enyl)pentane-2,4-dione (PubChem CID 58705070) has the molecular formula C11H10F6O2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 1,1,1,5,5,5-hexafluoro-3,3-bis(prop-2-enyl)pentane-2,4-dione.

Molecular Properties

Compound Name1,1,1,5,5,5-hexafluoro-3,3-bis(prop-2-enyl)pentane-2,4-dione
PubChem CID58705070
Molecular FormulaC11H10F6O2
Molecular Weight288.19 g/mol
Exact Mass288.06
IUPAC Name1,1,1,5,5,5-hexafluoro-3,3-bis(prop-2-enyl)pentane-2,4-dione
SMILESC=CCC(CC=C)(C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C11H10F6O2/c1-3-5-9(6-4-2,7(18)10(12,13)14)8(19)11(15,16)17/h3-4H,1-2,5-6H2
InChIKeyWCAVDFHYIACJDI-UHFFFAOYSA-N
XLogP3.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 550413
CID 550413
CID 14612888
CID 14612888
CID 129806837
CID 129806837
CID 14573430
CID 14573430
CID 21062442
CID 21062442
CID 22074693
CID 22074693
CID 12263995
CID 12263995
CID 101010841
CID 101010841

Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,5-hexafluoro-3,3-bis(prop-2-enyl)pentane-2,4-dione?
The IUPAC name of 1,1,1,5,5,5-hexafluoro-3,3-bis(prop-2-enyl)pentane-2,4-dione (CID 58705070) is 1,1,1,5,5,5-hexafluoro-3,3-bis(prop-2-enyl)pentane-2,4-dione.
What is the SMILES notation for 1,1,1,5,5,5-hexafluoro-3,3-bis(prop-2-enyl)pentane-2,4-dione?
The canonical SMILES for 1,1,1,5,5,5-hexafluoro-3,3-bis(prop-2-enyl)pentane-2,4-dione is C=CCC(CC=C)(C(=O)C(F)(F)F)C(=O)C(F)(F)F.
What is the InChIKey of 1,1,1,5,5,5-hexafluoro-3,3-bis(prop-2-enyl)pentane-2,4-dione?
The InChIKey is WCAVDFHYIACJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6O2/c1-3-5-9(6-4-2,7(18)10(12,13)14)8(19)11(15,16)17/h3-4H,1-2,5-6H2.
What are the key properties of 1,1,1,5,5,5-hexafluoro-3,3-bis(prop-2-enyl)pentane-2,4-dione?
1,1,1,5,5,5-hexafluoro-3,3-bis(prop-2-enyl)pentane-2,4-dione has a molecular weight of 288.19 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5,5-hexafluoro-3,3-bis(prop-2-enyl)pentane-2,4-dione is sourced from PubChem (CID 58705070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).