6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-1-en-5-one

C11H7F13O — CID 14973850

IUPAC6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-1-en-5-one
SMILESC=CCCC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H7F13O/c1-2-3-4-5(25)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2H,1,3-4H2
InChIKeyPLHRDURNCNWKMC-UHFFFAOYSA-N
MW402.15 g/mol
LogP5.26
Rot. Bonds8

About 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-1-en-5-one

6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-1-en-5-one (PubChem CID 14973850) has the molecular formula C11H7F13O and a molecular weight of 402.15 g/mol. Its IUPAC name is 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-1-en-5-one.

Molecular Properties

Compound Name6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-1-en-5-one
PubChem CID14973850
Molecular FormulaC11H7F13O
Molecular Weight402.15 g/mol
Exact Mass402.03
IUPAC Name6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-1-en-5-one
SMILESC=CCCC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H7F13O/c1-2-3-4-5(25)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2H,1,3-4H2
InChIKeyPLHRDURNCNWKMC-UHFFFAOYSA-N
XLogP5.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.15
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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
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7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Heptadecafluorotetradec-1-en-4-one
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1,1,1-Trifluoroundec-10-en-2-one
CID 71485099
1,1,1-Trifluorotridec-12-en-2-one
CID 11322666
1,1,1,2,2,3,3-Heptafluorooct-7-en-4-one
CID 14112670
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
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
6,6,7,7-Tetrafluoronon-8-ene-2,4-dione
CID 58864051

Frequently Asked Questions

What is the IUPAC name of 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-1-en-5-one?
The IUPAC name of 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-1-en-5-one (CID 14973850) is 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-1-en-5-one.
What is the SMILES notation for 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-1-en-5-one?
The canonical SMILES for 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-1-en-5-one is C=CCCC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-1-en-5-one?
The InChIKey is PLHRDURNCNWKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F13O/c1-2-3-4-5(25)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2H,1,3-4H2.
What are the key properties of 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-1-en-5-one?
6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-1-en-5-one has a molecular weight of 402.15 g/mol, XLogP of 5.26, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-1-en-5-one is sourced from PubChem (CID 14973850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).