1,1,1-trifluoro-6,10-dimethylundeca-5,9-dien-2-one

C13H19F3O — CID 72726260

IUPAC1,1,1-trifluoro-6,10-dimethylundeca-5,9-dien-2-one
SMILESCC(C)=CCCC(C)=CCCC(=O)C(F)(F)F
InChIInChI=1S/C13H19F3O/c1-10(2)6-4-7-11(3)8-5-9-12(17)13(14,15)16/h6,8H,4-5,7,9H2,1-3H3
InChIKeyVCHIQJZLMXWVDR-UHFFFAOYSA-N
MW248.29 g/mol
LogP4.59
Rot. Bonds6

About 1,1,1-trifluoro-6,10-dimethylundeca-5,9-dien-2-one

1,1,1-trifluoro-6,10-dimethylundeca-5,9-dien-2-one (PubChem CID 72726260) has the molecular formula C13H19F3O and a molecular weight of 248.29 g/mol. Its IUPAC name is 1,1,1-trifluoro-6,10-dimethylundeca-5,9-dien-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-6,10-dimethylundeca-5,9-dien-2-one
PubChem CID72726260
Molecular FormulaC13H19F3O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name1,1,1-trifluoro-6,10-dimethylundeca-5,9-dien-2-one
SMILESCC(C)=CCCC(C)=CCCC(=O)C(F)(F)F
InChIInChI=1S/C13H19F3O/c1-10(2)6-4-7-11(3)8-5-9-12(17)13(14,15)16/h6,8H,4-5,7,9H2,1-3H3
InChIKeyVCHIQJZLMXWVDR-UHFFFAOYSA-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

(5E,9E,13E,17E)-1,1,1-trifluoro-5,9,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-2-one
CID 10813531
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
(2E,6E,10E)-3,7,11,15-tetramethyl-1-tritiohexadeca-2,6,10,14-tetraen-1-ol
CID 101376573
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986
5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenamide
CID 173416553
5,9,13-trimethyltetradeca-4,8,12-trienoyl chloride
CID 54440908

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-6,10-dimethylundeca-5,9-dien-2-one?
The IUPAC name of 1,1,1-trifluoro-6,10-dimethylundeca-5,9-dien-2-one (CID 72726260) is 1,1,1-trifluoro-6,10-dimethylundeca-5,9-dien-2-one.
What is the SMILES notation for 1,1,1-trifluoro-6,10-dimethylundeca-5,9-dien-2-one?
The canonical SMILES for 1,1,1-trifluoro-6,10-dimethylundeca-5,9-dien-2-one is CC(C)=CCCC(C)=CCCC(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-6,10-dimethylundeca-5,9-dien-2-one?
The InChIKey is VCHIQJZLMXWVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3O/c1-10(2)6-4-7-11(3)8-5-9-12(17)13(14,15)16/h6,8H,4-5,7,9H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-6,10-dimethylundeca-5,9-dien-2-one?
1,1,1-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 1,1,1-trifluoro-6,10-dimethylundeca-5,9-dien-2-one is sourced from PubChem (CID 72726260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).