1,1,1,3,3,5-hexafluoropentane-2,4-dione

C5H2F6O2 — CID 18674725

IUPAC1,1,1,3,3,5-hexafluoropentane-2,4-dione
SMILESO=C(CF)C(F)(F)C(=O)C(F)(F)F
InChIInChI=1S/C5H2F6O2/c6-1-2(12)4(7,8)3(13)5(9,10)11/h1H2
InChIKeyARUZCDCEYRXMNU-UHFFFAOYSA-N
MW208.06 g/mol
LogP1.29
Rot. Bonds3

About 1,1,1,3,3,5-hexafluoropentane-2,4-dione

1,1,1,3,3,5-hexafluoropentane-2,4-dione (PubChem CID 18674725) has the molecular formula C5H2F6O2 and a molecular weight of 208.06 g/mol. Its IUPAC name is 1,1,1,3,3,5-hexafluoropentane-2,4-dione.

Molecular Properties

Compound Name1,1,1,3,3,5-hexafluoropentane-2,4-dione
PubChem CID18674725
Molecular FormulaC5H2F6O2
Molecular Weight208.06 g/mol
Exact Mass208.00
IUPAC Name1,1,1,3,3,5-hexafluoropentane-2,4-dione
SMILESO=C(CF)C(F)(F)C(=O)C(F)(F)F
InChIInChI=1S/C5H2F6O2/c6-1-2(12)4(7,8)3(13)5(9,10)11/h1H2
InChIKeyARUZCDCEYRXMNU-UHFFFAOYSA-N
XLogP1.29
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.06
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,5-hexafluoropentane-2,4-dione?
The IUPAC name of 1,1,1,3,3,5-hexafluoropentane-2,4-dione (CID 18674725) is 1,1,1,3,3,5-hexafluoropentane-2,4-dione.
What is the SMILES notation for 1,1,1,3,3,5-hexafluoropentane-2,4-dione?
The canonical SMILES for 1,1,1,3,3,5-hexafluoropentane-2,4-dione is O=C(CF)C(F)(F)C(=O)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,5-hexafluoropentane-2,4-dione?
The InChIKey is ARUZCDCEYRXMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6O2/c6-1-2(12)4(7,8)3(13)5(9,10)11/h1H2.
What are the key properties of 1,1,1,3,3,5-hexafluoropentane-2,4-dione?
1,1,1,3,3,5-hexafluoropentane-2,4-dione has a molecular weight of 208.06 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,5-hexafluoropentane-2,4-dione is sourced from PubChem (CID 18674725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).