6,6,7-trifluorooct-7-ene-2,4-dione

C8H9F3O2 — CID 58864048

IUPAC6,6,7-trifluorooct-7-ene-2,4-dione
SMILESC=C(F)C(F)(F)CC(=O)CC(C)=O
InChIInChI=1S/C8H9F3O2/c1-5(12)3-7(13)4-8(10,11)6(2)9/h2-4H2,1H3
InChIKeyXXASKXKZEFJCAQ-UHFFFAOYSA-N
MW194.15 g/mol
LogP2.04
Rot. Bonds5

About 6,6,7-trifluorooct-7-ene-2,4-dione

6,6,7-trifluorooct-7-ene-2,4-dione (PubChem CID 58864048) has the molecular formula C8H9F3O2 and a molecular weight of 194.15 g/mol. Its IUPAC name is 6,6,7-trifluorooct-7-ene-2,4-dione.

Molecular Properties

Compound Name6,6,7-trifluorooct-7-ene-2,4-dione
PubChem CID58864048
Molecular FormulaC8H9F3O2
Molecular Weight194.15 g/mol
Exact Mass194.06
IUPAC Name6,6,7-trifluorooct-7-ene-2,4-dione
SMILESC=C(F)C(F)(F)CC(=O)CC(C)=O
InChIInChI=1S/C8H9F3O2/c1-5(12)3-7(13)4-8(10,11)6(2)9/h2-4H2,1H3
InChIKeyXXASKXKZEFJCAQ-UHFFFAOYSA-N
XLogP2.04
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 52.04
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 6,6,7-trifluorooct-7-ene-2,4-dione?
The IUPAC name of 6,6,7-trifluorooct-7-ene-2,4-dione (CID 58864048) is 6,6,7-trifluorooct-7-ene-2,4-dione.
What is the SMILES notation for 6,6,7-trifluorooct-7-ene-2,4-dione?
The canonical SMILES for 6,6,7-trifluorooct-7-ene-2,4-dione is C=C(F)C(F)(F)CC(=O)CC(C)=O.
What is the InChIKey of 6,6,7-trifluorooct-7-ene-2,4-dione?
The InChIKey is XXASKXKZEFJCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3O2/c1-5(12)3-7(13)4-8(10,11)6(2)9/h2-4H2,1H3.
What are the key properties of 6,6,7-trifluorooct-7-ene-2,4-dione?
6,6,7-trifluorooct-7-ene-2,4-dione has a molecular weight of 194.15 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7-trifluorooct-7-ene-2,4-dione is sourced from PubChem (CID 58864048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).