6,6,7,7,8,8,9,9-octafluoroundec-10-ene-2,4-dione

C11H10F8O2 — CID 58864065

IUPAC6,6,7,7,8,8,9,9-octafluoroundec-10-ene-2,4-dione
SMILESC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(=O)CC(C)=O
InChIInChI=1S/C11H10F8O2/c1-3-8(12,13)10(16,17)11(18,19)9(14,15)5-7(21)4-6(2)20/h3H,1,4-5H2,2H3
InChIKeyIHZSCVPATFHPSH-UHFFFAOYSA-N
MW326.18 g/mol
LogP3.65
Rot. Bonds8

About 6,6,7,7,8,8,9,9-octafluoroundec-10-ene-2,4-dione

6,6,7,7,8,8,9,9-octafluoroundec-10-ene-2,4-dione (PubChem CID 58864065) has the molecular formula C11H10F8O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is 6,6,7,7,8,8,9,9-octafluoroundec-10-ene-2,4-dione.

Molecular Properties

Compound Name6,6,7,7,8,8,9,9-octafluoroundec-10-ene-2,4-dione
PubChem CID58864065
Molecular FormulaC11H10F8O2
Molecular Weight326.18 g/mol
Exact Mass326.06
IUPAC Name6,6,7,7,8,8,9,9-octafluoroundec-10-ene-2,4-dione
SMILESC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(=O)CC(C)=O
InChIInChI=1S/C11H10F8O2/c1-3-8(12,13)10(16,17)11(18,19)9(14,15)5-7(21)4-6(2)20/h3H,1,4-5H2,2H3
InChIKeyIHZSCVPATFHPSH-UHFFFAOYSA-N
XLogP3.65
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 53.65
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
3,3,4,4-Tetrafluorododec-1-en-5-one
CID 178341188
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

Frequently Asked Questions

What is the IUPAC name of 6,6,7,7,8,8,9,9-octafluoroundec-10-ene-2,4-dione?
The IUPAC name of 6,6,7,7,8,8,9,9-octafluoroundec-10-ene-2,4-dione (CID 58864065) is 6,6,7,7,8,8,9,9-octafluoroundec-10-ene-2,4-dione.
What is the SMILES notation for 6,6,7,7,8,8,9,9-octafluoroundec-10-ene-2,4-dione?
The canonical SMILES for 6,6,7,7,8,8,9,9-octafluoroundec-10-ene-2,4-dione is C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(=O)CC(C)=O.
What is the InChIKey of 6,6,7,7,8,8,9,9-octafluoroundec-10-ene-2,4-dione?
The InChIKey is IHZSCVPATFHPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F8O2/c1-3-8(12,13)10(16,17)11(18,19)9(14,15)5-7(21)4-6(2)20/h3H,1,4-5H2,2H3.
What are the key properties of 6,6,7,7,8,8,9,9-octafluoroundec-10-ene-2,4-dione?
6,6,7,7,8,8,9,9-octafluoroundec-10-ene-2,4-dione has a molecular weight of 326.18 g/mol, XLogP of 3.65, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7,7,8,8,9,9-octafluoroundec-10-ene-2,4-dione is sourced from PubChem (CID 58864065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).