1,1,5,5-tetrafluoropentane-2,4-dione

C5H4F4O2 — CID 12640721

IUPAC1,1,5,5-tetrafluoropentane-2,4-dione
SMILESO=C(CC(=O)C(F)F)C(F)F
InChIInChI=1S/C5H4F4O2/c6-4(7)2(10)1-3(11)5(8)9/h4-5H,1H2
InChIKeyFTTDMWQQHZSARH-UHFFFAOYSA-N
MW172.08 g/mol
LogP1.04
Rot. Bonds4

About 1,1,5,5-tetrafluoropentane-2,4-dione

1,1,5,5-tetrafluoropentane-2,4-dione (PubChem CID 12640721) has the molecular formula C5H4F4O2 and a molecular weight of 172.08 g/mol. Its IUPAC name is 1,1,5,5-tetrafluoropentane-2,4-dione.

Molecular Properties

Compound Name1,1,5,5-tetrafluoropentane-2,4-dione
PubChem CID12640721
Molecular FormulaC5H4F4O2
Molecular Weight172.08 g/mol
Exact Mass172.01
IUPAC Name1,1,5,5-tetrafluoropentane-2,4-dione
SMILESO=C(CC(=O)C(F)F)C(F)F
InChIInChI=1S/C5H4F4O2/c6-4(7)2(10)1-3(11)5(8)9/h4-5H,1H2
InChIKeyFTTDMWQQHZSARH-UHFFFAOYSA-N
XLogP1.04
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.08
LogP ≤ 51.04
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 1,1,5,5-tetrafluoropentane-2,4-dione?
The IUPAC name of 1,1,5,5-tetrafluoropentane-2,4-dione (CID 12640721) is 1,1,5,5-tetrafluoropentane-2,4-dione.
What is the SMILES notation for 1,1,5,5-tetrafluoropentane-2,4-dione?
The canonical SMILES for 1,1,5,5-tetrafluoropentane-2,4-dione is O=C(CC(=O)C(F)F)C(F)F.
What is the InChIKey of 1,1,5,5-tetrafluoropentane-2,4-dione?
The InChIKey is FTTDMWQQHZSARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F4O2/c6-4(7)2(10)1-3(11)5(8)9/h4-5H,1H2.
What are the key properties of 1,1,5,5-tetrafluoropentane-2,4-dione?
1,1,5,5-tetrafluoropentane-2,4-dione has a molecular weight of 172.08 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5,5-tetrafluoropentane-2,4-dione is sourced from PubChem (CID 12640721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).