(3E,5E)-3-ethenyl-5-(1-fluoroprop-2-enyl)-2,4-dimethylocta-1,3,5-triene

C15H21F — CID 130420883

IUPAC(3E,5E)-3-ethenyl-5-(1-fluoroprop-2-enyl)-2,4-dimethylocta-1,3,5-triene
SMILESC=C/C(C(=C)C)=C(C)\C(=C/CC)C(F)C=C
InChIInChI=1S/C15H21F/c1-7-10-14(15(16)9-3)12(6)13(8-2)11(4)5/h8-10,15H,2-4,7H2,1,5-6H3/b13-12+,14-10+
InChIKeyPAQUWIABYQXQPQ-GTDMLIFZSA-N
MW220.33 g/mol
LogP4.93
Rot. Bonds6

About (3E,5E)-3-ethenyl-5-(1-fluoroprop-2-enyl)-2,4-dimethylocta-1,3,5-triene

(3E,5E)-3-ethenyl-5-(1-fluoroprop-2-enyl)-2,4-dimethylocta-1,3,5-triene (PubChem CID 130420883) has the molecular formula C15H21F and a molecular weight of 220.33 g/mol. Its IUPAC name is (3E,5E)-3-ethenyl-5-(1-fluoroprop-2-enyl)-2,4-dimethylocta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5E)-3-ethenyl-5-(1-fluoroprop-2-enyl)-2,4-dimethylocta-1,3,5-triene
PubChem CID130420883
Molecular FormulaC15H21F
Molecular Weight220.33 g/mol
Exact Mass220.16
IUPAC Name(3E,5E)-3-ethenyl-5-(1-fluoroprop-2-enyl)-2,4-dimethylocta-1,3,5-triene
SMILESC=C/C(C(=C)C)=C(C)\C(=C/CC)C(F)C=C
InChIInChI=1S/C15H21F/c1-7-10-14(15(16)9-3)12(6)13(8-2)11(4)5/h8-10,15H,2-4,7H2,1,5-6H3/b13-12+,14-10+
InChIKeyPAQUWIABYQXQPQ-GTDMLIFZSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-3-ethenyl-5-(1-fluoroprop-2-enyl)-2,4-dimethylocta-1,3,5-triene?
The IUPAC name of (3E,5E)-3-ethenyl-5-(1-fluoroprop-2-enyl)-2,4-dimethylocta-1,3,5-triene (CID 130420883) is (3E,5E)-3-ethenyl-5-(1-fluoroprop-2-enyl)-2,4-dimethylocta-1,3,5-triene.
What is the SMILES notation for (3E,5E)-3-ethenyl-5-(1-fluoroprop-2-enyl)-2,4-dimethylocta-1,3,5-triene?
The canonical SMILES for (3E,5E)-3-ethenyl-5-(1-fluoroprop-2-enyl)-2,4-dimethylocta-1,3,5-triene is C=C/C(C(=C)C)=C(C)\C(=C/CC)C(F)C=C.
What is the InChIKey of (3E,5E)-3-ethenyl-5-(1-fluoroprop-2-enyl)-2,4-dimethylocta-1,3,5-triene?
The InChIKey is PAQUWIABYQXQPQ-GTDMLIFZSA-N. The full InChI is InChI=1S/C15H21F/c1-7-10-14(15(16)9-3)12(6)13(8-2)11(4)5/h8-10,15H,2-4,7H2,1,5-6H3/b13-12+,14-10+.
What are the key properties of (3E,5E)-3-ethenyl-5-(1-fluoroprop-2-enyl)-2,4-dimethylocta-1,3,5-triene?
(3E,5E)-3-ethenyl-5-(1-fluoroprop-2-enyl)-2,4-dimethylocta-1,3,5-triene has a molecular weight of 220.33 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-3-ethenyl-5-(1-fluoroprop-2-enyl)-2,4-dimethylocta-1,3,5-triene is sourced from PubChem (CID 130420883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).