6-fluoro-3,7,11-trimethyldodeca-1,6,10-triene

C15H25F — CID 91438232

IUPAC6-fluoro-3,7,11-trimethyldodeca-1,6,10-triene
SMILESC=CC(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/h6,8,13H,1,7,9-11H2,2-5H3
InChIKeyFLZYMBOAHSEHJM-UHFFFAOYSA-N
MW224.36 g/mol
LogP5.58
Rot. Bonds7

About 6-fluoro-3,7,11-trimethyldodeca-1,6,10-triene

6-fluoro-3,7,11-trimethyldodeca-1,6,10-triene (PubChem CID 91438232) has the molecular formula C15H25F and a molecular weight of 224.36 g/mol. Its IUPAC name is 6-fluoro-3,7,11-trimethyldodeca-1,6,10-triene.

Molecular Properties

Compound Name6-fluoro-3,7,11-trimethyldodeca-1,6,10-triene
PubChem CID91438232
Molecular FormulaC15H25F
Molecular Weight224.36 g/mol
Exact Mass224.19
IUPAC Name6-fluoro-3,7,11-trimethyldodeca-1,6,10-triene
SMILESC=CC(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/h6,8,13H,1,7,9-11H2,2-5H3
InChIKeyFLZYMBOAHSEHJM-UHFFFAOYSA-N
XLogP5.58
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 ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,7,11-trimethyldodeca-1,6,10-triene?
The IUPAC name of 6-fluoro-3,7,11-trimethyldodeca-1,6,10-triene (CID 91438232) is 6-fluoro-3,7,11-trimethyldodeca-1,6,10-triene.
What is the SMILES notation for 6-fluoro-3,7,11-trimethyldodeca-1,6,10-triene?
The canonical SMILES for 6-fluoro-3,7,11-trimethyldodeca-1,6,10-triene is C=CC(C)CCC(F)=C(C)CCC=C(C)C.
What is the InChIKey of 6-fluoro-3,7,11-trimethyldodeca-1,6,10-triene?
The InChIKey is FLZYMBOAHSEHJM-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/h6,8,13H,1,7,9-11H2,2-5H3.
What are the key properties of 6-fluoro-3,7,11-trimethyldodeca-1,6,10-triene?
6-fluoro-3,7,11-trimethyldodeca-1,6,10-triene has a molecular weight of 224.36 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,7,11-trimethyldodeca-1,6,10-triene is sourced from PubChem (CID 91438232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).