6,6,7,7-tetrafluoronon-8-ene-2,4-dione

C9H10F4O2 — CID 58864051

IUPAC6,6,7,7-tetrafluoronon-8-ene-2,4-dione
SMILESC=CC(F)(F)C(F)(F)CC(=O)CC(C)=O
InChIInChI=1S/C9H10F4O2/c1-3-8(10,11)9(12,13)5-7(15)4-6(2)14/h3H,1,4-5H2,2H3
InChIKeyKTOQCIBJIHSSKH-UHFFFAOYSA-N
MW226.17 g/mol
LogP2.38
Rot. Bonds6

About 6,6,7,7-tetrafluoronon-8-ene-2,4-dione

6,6,7,7-tetrafluoronon-8-ene-2,4-dione (PubChem CID 58864051) has the molecular formula C9H10F4O2 and a molecular weight of 226.17 g/mol. Its IUPAC name is 6,6,7,7-tetrafluoronon-8-ene-2,4-dione.

Molecular Properties

Compound Name6,6,7,7-tetrafluoronon-8-ene-2,4-dione
PubChem CID58864051
Molecular FormulaC9H10F4O2
Molecular Weight226.17 g/mol
Exact Mass226.06
IUPAC Name6,6,7,7-tetrafluoronon-8-ene-2,4-dione
SMILESC=CC(F)(F)C(F)(F)CC(=O)CC(C)=O
InChIInChI=1S/C9H10F4O2/c1-3-8(10,11)9(12,13)5-7(15)4-6(2)14/h3H,1,4-5H2,2H3
InChIKeyKTOQCIBJIHSSKH-UHFFFAOYSA-N
XLogP2.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.17
LogP ≤ 52.38
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1-Trifluorooct-7-ene-2,4-dione
CID 14573424
7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Heptadecafluorotetradec-1-en-4-one
CID 102001690
1,1,1-Trifluoroundec-10-en-2-one
CID 71485099
1,1,1-Trifluorotridec-12-en-2-one
CID 11322666
6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Pentadecafluorododec-1-en-5-one
CID 14112690
4,4-Difluorotrideca-1,2-dien-6-one
CID 168301382
8-Nonene-2,4-dione
CID 11309626
6,6,7,7,8,8,9,9,10,10,11,11,11-Tridecafluoroundec-1-en-5-one
CID 14973850
1,1-Difluoronon-1-en-4-one
CID 15651616
Methyl 10,10-difluoro-9-decenyl ketone
CID 19915358
1,1,1,2,2-Pentafluorotetradec-13-en-6-one
CID 22033192
1,1,1,3,3,5-Hexafluorooct-7-ene-2,4-dione
CID 23042328

Frequently Asked Questions

What is the IUPAC name of 6,6,7,7-tetrafluoronon-8-ene-2,4-dione?
The IUPAC name of 6,6,7,7-tetrafluoronon-8-ene-2,4-dione (CID 58864051) is 6,6,7,7-tetrafluoronon-8-ene-2,4-dione.
What is the SMILES notation for 6,6,7,7-tetrafluoronon-8-ene-2,4-dione?
The canonical SMILES for 6,6,7,7-tetrafluoronon-8-ene-2,4-dione is C=CC(F)(F)C(F)(F)CC(=O)CC(C)=O.
What is the InChIKey of 6,6,7,7-tetrafluoronon-8-ene-2,4-dione?
The InChIKey is KTOQCIBJIHSSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4O2/c1-3-8(10,11)9(12,13)5-7(15)4-6(2)14/h3H,1,4-5H2,2H3.
What are the key properties of 6,6,7,7-tetrafluoronon-8-ene-2,4-dione?
6,6,7,7-tetrafluoronon-8-ene-2,4-dione has a molecular weight of 226.17 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7,7-tetrafluoronon-8-ene-2,4-dione is sourced from PubChem (CID 58864051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).