7-fluoro-2,6,10-trimethyldodeca-2,6,10-triene

C15H25F — CID 91063959

IUPAC7-fluoro-2,6,10-trimethyldodeca-2,6,10-triene
SMILESCC=C(C)CCC(F)=C(C)CCC=C(C)C
InChIInChI=1S/C15H25F/c1-6-13(4)10-11-15(16)14(5)9-7-8-12(2)3/h6,8H,7,9-11H2,1-5H3
InChIKeyUKBRTSNRTVCBOU-UHFFFAOYSA-N
MW224.36 g/mol
LogP5.72
Rot. Bonds6

About 7-fluoro-2,6,10-trimethyldodeca-2,6,10-triene

7-fluoro-2,6,10-trimethyldodeca-2,6,10-triene (PubChem CID 91063959) has the molecular formula C15H25F and a molecular weight of 224.36 g/mol. Its IUPAC name is 7-fluoro-2,6,10-trimethyldodeca-2,6,10-triene.

Molecular Properties

Compound Name7-fluoro-2,6,10-trimethyldodeca-2,6,10-triene
PubChem CID91063959
Molecular FormulaC15H25F
Molecular Weight224.36 g/mol
Exact Mass224.19
IUPAC Name7-fluoro-2,6,10-trimethyldodeca-2,6,10-triene
SMILESCC=C(C)CCC(F)=C(C)CCC=C(C)C
InChIInChI=1S/C15H25F/c1-6-13(4)10-11-15(16)14(5)9-7-8-12(2)3/h6,8H,7,9-11H2,1-5H3
InChIKeyUKBRTSNRTVCBOU-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.36
LogP ≤ 55.72
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 7-fluoro-2,6,10-trimethyldodeca-2,6,10-triene?
The IUPAC name of 7-fluoro-2,6,10-trimethyldodeca-2,6,10-triene (CID 91063959) is 7-fluoro-2,6,10-trimethyldodeca-2,6,10-triene.
What is the SMILES notation for 7-fluoro-2,6,10-trimethyldodeca-2,6,10-triene?
The canonical SMILES for 7-fluoro-2,6,10-trimethyldodeca-2,6,10-triene is CC=C(C)CCC(F)=C(C)CCC=C(C)C.
What is the InChIKey of 7-fluoro-2,6,10-trimethyldodeca-2,6,10-triene?
The InChIKey is UKBRTSNRTVCBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F/c1-6-13(4)10-11-15(16)14(5)9-7-8-12(2)3/h6,8H,7,9-11H2,1-5H3.
What are the key properties of 7-fluoro-2,6,10-trimethyldodeca-2,6,10-triene?
7-fluoro-2,6,10-trimethyldodeca-2,6,10-triene has a molecular weight of 224.36 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,6,10-trimethyldodeca-2,6,10-triene is sourced from PubChem (CID 91063959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).