(5E,9E)-11,11,11-trifluoro-6,10-dimethylundeca-5,9-dien-2-one

C13H19F3O — CID 15231062

IUPAC(5E,9E)-11,11,11-trifluoro-6,10-dimethylundeca-5,9-dien-2-one
SMILESCC(=O)CC/C=C(\C)CC/C=C(\C)C(F)(F)F
InChIInChI=1S/C13H19F3O/c1-10(7-5-9-12(3)17)6-4-8-11(2)13(14,15)16/h7-8H,4-6,9H2,1-3H3/b10-7+,11-8+
InChIKeyXHQVNYFKXYIQHR-AMMQDNIMSA-N
MW248.29 g/mol
LogP4.59
Rot. Bonds6

About (5E,9E)-11,11,11-trifluoro-6,10-dimethylundeca-5,9-dien-2-one

(5E,9E)-11,11,11-trifluoro-6,10-dimethylundeca-5,9-dien-2-one (PubChem CID 15231062) has the molecular formula C13H19F3O and a molecular weight of 248.29 g/mol. Its IUPAC name is (5E,9E)-11,11,11-trifluoro-6,10-dimethylundeca-5,9-dien-2-one.

Molecular Properties

Compound Name(5E,9E)-11,11,11-trifluoro-6,10-dimethylundeca-5,9-dien-2-one
PubChem CID15231062
Molecular FormulaC13H19F3O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name(5E,9E)-11,11,11-trifluoro-6,10-dimethylundeca-5,9-dien-2-one
SMILESCC(=O)CC/C=C(\C)CC/C=C(\C)C(F)(F)F
InChIInChI=1S/C13H19F3O/c1-10(7-5-9-12(3)17)6-4-8-11(2)13(14,15)16/h7-8H,4-6,9H2,1-3H3/b10-7+,11-8+
InChIKeyXHQVNYFKXYIQHR-AMMQDNIMSA-N
XLogP4.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-5-hepten-2-one
CID 9862
Geranylacetone
CID 1549778
Teprenone
CID 5282199
Nerylacetone
CID 1713001
6,10-Dimethylundeca-5,9-Dien-2-One
CID 19633
(6Z,9Z,12Z,15Z)-1,1,1-Trifluoro-6,9,12,15-heneicosatetraen-2-one
CID 5280436
Farnesyl acetone
CID 1711945
5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-
CID 61206
5-Octen-2-one, 6-methyl-
CID 91135
5,9-Dodecadien-2-one, 6,10-dimethyl-
CID 114621
Farnesyl acetone, (5e,9Z)-
CID 1711944
(5Z,9Z,13E)-Geranylgeranylacetone
CID 5399

Frequently Asked Questions

What is the IUPAC name of (5E,9E)-11,11,11-trifluoro-6,10-dimethylundeca-5,9-dien-2-one?
The IUPAC name of (5E,9E)-11,11,11-trifluoro-6,10-dimethylundeca-5,9-dien-2-one (CID 15231062) is (5E,9E)-11,11,11-trifluoro-6,10-dimethylundeca-5,9-dien-2-one.
What is the SMILES notation for (5E,9E)-11,11,11-trifluoro-6,10-dimethylundeca-5,9-dien-2-one?
The canonical SMILES for (5E,9E)-11,11,11-trifluoro-6,10-dimethylundeca-5,9-dien-2-one is CC(=O)CC/C=C(\C)CC/C=C(\C)C(F)(F)F.
What is the InChIKey of (5E,9E)-11,11,11-trifluoro-6,10-dimethylundeca-5,9-dien-2-one?
The InChIKey is XHQVNYFKXYIQHR-AMMQDNIMSA-N. The full InChI is InChI=1S/C13H19F3O/c1-10(7-5-9-12(3)17)6-4-8-11(2)13(14,15)16/h7-8H,4-6,9H2,1-3H3/b10-7+,11-8+.
What are the key properties of (5E,9E)-11,11,11-trifluoro-6,10-dimethylundeca-5,9-dien-2-one?
(5E,9E)-11,11,11-trifluoro-6,10-dimethylundeca-5,9-dien-2-one has a molecular weight of 248.29 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E)-11,11,11-trifluoro-6,10-dimethylundeca-5,9-dien-2-one is sourced from PubChem (CID 15231062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).