(2E,6E)-1-fluoro-3,7,11-trimethyldodeca-2,6,10-triene

C15H25F — CID 16720898

IUPAC(2E,6E)-1-fluoro-3,7,11-trimethyldodeca-2,6,10-triene
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CF
InChIInChI=1S/C15H25F/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+
InChIKeyWJVFFRAYSVDQPS-YFVJMOTDSA-N
MW224.36 g/mol
LogP5.38
Rot. Bonds7

About (2E,6E)-1-fluoro-3,7,11-trimethyldodeca-2,6,10-triene

(2E,6E)-1-fluoro-3,7,11-trimethyldodeca-2,6,10-triene (PubChem CID 16720898) has the molecular formula C15H25F and a molecular weight of 224.36 g/mol. Its IUPAC name is (2E,6E)-1-fluoro-3,7,11-trimethyldodeca-2,6,10-triene.

Molecular Properties

Compound Name(2E,6E)-1-fluoro-3,7,11-trimethyldodeca-2,6,10-triene
PubChem CID16720898
Molecular FormulaC15H25F
Molecular Weight224.36 g/mol
Exact Mass224.19
IUPAC Name(2E,6E)-1-fluoro-3,7,11-trimethyldodeca-2,6,10-triene
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CF
InChIInChI=1S/C15H25F/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+
InChIKeyWJVFFRAYSVDQPS-YFVJMOTDSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.36
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Myrcene
CID 31253
Squalene
CID 638072
beta-Farnesene
CID 5281517
(6Z,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 11975273
Geraniolene
CID 81203
4-Propyl-3-heptene
CID 138270
2,6,10,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 1105
1,5-Cyclooctadiene, 1,5-dimethyl-
CID 5365758
2,6,10-Trimethyldodeca-2,6,10-triene
CID 4475483
2-Methyl-2-heptene
CID 12330
7-Methyl-1,6-octadiene
CID 557579
3-Methyl-3-heptene
CID 5364732

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-1-fluoro-3,7,11-trimethyldodeca-2,6,10-triene?
The IUPAC name of (2E,6E)-1-fluoro-3,7,11-trimethyldodeca-2,6,10-triene (CID 16720898) is (2E,6E)-1-fluoro-3,7,11-trimethyldodeca-2,6,10-triene.
What is the SMILES notation for (2E,6E)-1-fluoro-3,7,11-trimethyldodeca-2,6,10-triene?
The canonical SMILES for (2E,6E)-1-fluoro-3,7,11-trimethyldodeca-2,6,10-triene is CC(C)=CCC/C(C)=C/CC/C(C)=C/CF.
What is the InChIKey of (2E,6E)-1-fluoro-3,7,11-trimethyldodeca-2,6,10-triene?
The InChIKey is WJVFFRAYSVDQPS-YFVJMOTDSA-N. The full InChI is InChI=1S/C15H25F/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+.
What are the key properties of (2E,6E)-1-fluoro-3,7,11-trimethyldodeca-2,6,10-triene?
(2E,6E)-1-fluoro-3,7,11-trimethyldodeca-2,6,10-triene has a molecular weight of 224.36 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-1-fluoro-3,7,11-trimethyldodeca-2,6,10-triene is sourced from PubChem (CID 16720898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).