9-methylidene-5-(trifluoromethyl)trideca-3,5,7-triene

C15H21F3 — CID 91173637

IUPAC9-methylidene-5-(trifluoromethyl)trideca-3,5,7-triene
SMILESC=C(C=CC=C(C=CCC)C(F)(F)F)CCCC
InChIInChI=1S/C15H21F3/c1-4-6-9-13(3)10-8-12-14(11-7-5-2)15(16,17)18/h7-8,10-12H,3-6,9H2,1-2H3
InChIKeyGSCQHUAACOLUNN-UHFFFAOYSA-N
MW258.33 g/mol
LogP5.74
Rot. Bonds7

About 9-methylidene-5-(trifluoromethyl)trideca-3,5,7-triene

9-methylidene-5-(trifluoromethyl)trideca-3,5,7-triene (PubChem CID 91173637) has the molecular formula C15H21F3 and a molecular weight of 258.33 g/mol. Its IUPAC name is 9-methylidene-5-(trifluoromethyl)trideca-3,5,7-triene.

Molecular Properties

Compound Name9-methylidene-5-(trifluoromethyl)trideca-3,5,7-triene
PubChem CID91173637
Molecular FormulaC15H21F3
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name9-methylidene-5-(trifluoromethyl)trideca-3,5,7-triene
SMILESC=C(C=CC=C(C=CCC)C(F)(F)F)CCCC
InChIInChI=1S/C15H21F3/c1-4-6-9-13(3)10-8-12-14(11-7-5-2)15(16,17)18/h7-8,10-12H,3-6,9H2,1-2H3
InChIKeyGSCQHUAACOLUNN-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.33
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-methylidene-5-(trifluoromethyl)trideca-3,5,7-triene?
The IUPAC name of 9-methylidene-5-(trifluoromethyl)trideca-3,5,7-triene (CID 91173637) is 9-methylidene-5-(trifluoromethyl)trideca-3,5,7-triene.
What is the SMILES notation for 9-methylidene-5-(trifluoromethyl)trideca-3,5,7-triene?
The canonical SMILES for 9-methylidene-5-(trifluoromethyl)trideca-3,5,7-triene is C=C(C=CC=C(C=CCC)C(F)(F)F)CCCC.
What is the InChIKey of 9-methylidene-5-(trifluoromethyl)trideca-3,5,7-triene?
The InChIKey is GSCQHUAACOLUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3/c1-4-6-9-13(3)10-8-12-14(11-7-5-2)15(16,17)18/h7-8,10-12H,3-6,9H2,1-2H3.
What are the key properties of 9-methylidene-5-(trifluoromethyl)trideca-3,5,7-triene?
9-methylidene-5-(trifluoromethyl)trideca-3,5,7-triene has a molecular weight of 258.33 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylidene-5-(trifluoromethyl)trideca-3,5,7-triene is sourced from PubChem (CID 91173637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).