(3E,7Z)-5,6,9-trimethylidene-3-(trifluoromethyl)undeca-1,3,7-triene

C15H17F3 — CID 145480576

IUPAC(3E,7Z)-5,6,9-trimethylidene-3-(trifluoromethyl)undeca-1,3,7-triene
SMILESC=C/C(=C\C(=C)C(=C)/C=C/C(=C)CC)C(F)(F)F
InChIInChI=1S/C15H17F3/c1-6-11(3)8-9-12(4)13(5)10-14(7-2)15(16,17)18/h7-10H,2-6H2,1H3/b9-8-,14-10+
InChIKeyWSCZODREWSFUNE-MYSCJDEHSA-N
MW254.29 g/mol
LogP5.30
Rot. Bonds6

About (3E,7Z)-5,6,9-trimethylidene-3-(trifluoromethyl)undeca-1,3,7-triene

(3E,7Z)-5,6,9-trimethylidene-3-(trifluoromethyl)undeca-1,3,7-triene (PubChem CID 145480576) has the molecular formula C15H17F3 and a molecular weight of 254.29 g/mol. Its IUPAC name is (3E,7Z)-5,6,9-trimethylidene-3-(trifluoromethyl)undeca-1,3,7-triene.

Molecular Properties

Compound Name(3E,7Z)-5,6,9-trimethylidene-3-(trifluoromethyl)undeca-1,3,7-triene
PubChem CID145480576
Molecular FormulaC15H17F3
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name(3E,7Z)-5,6,9-trimethylidene-3-(trifluoromethyl)undeca-1,3,7-triene
SMILESC=C/C(=C\C(=C)C(=C)/C=C/C(=C)CC)C(F)(F)F
InChIInChI=1S/C15H17F3/c1-6-11(3)8-9-12(4)13(5)10-14(7-2)15(16,17)18/h7-10H,2-6H2,1H3/b9-8-,14-10+
InChIKeyWSCZODREWSFUNE-MYSCJDEHSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.29
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3E,7Z)-5,6,9-trimethylidene-3-(trifluoromethyl)undeca-1,3,7-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

prop-1-ene;(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-diene
CID 144612607
5-methylidene-2-(trifluoromethyl)hepta-1,3-diene
CID 91256552
(3E)-5-ethyl-6-methyl-3-(trifluoromethyl)hepta-1,3,5-triene
CID 163624463
[(3E)-2-methylidene-4-(trifluoromethyl)hexa-3,5-dienyl]phosphane
CID 142032731
propane;(3Z,7Z)-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol
CID 142281411
(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane
CID 144723415
ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
CID 145059823
(Z)-1,1,1-trifluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 169163898
(2E,6Z)-2-(1-aminoethenyl)-4,5,8-trimethylidenedeca-2,6-dienal
CID 145060013
(Z)-N-ethenyl-2,3,6-trimethylideneoct-4-en-1-imine
CID 145480572
ethene;(3Z)-6-(fluoromethyl)-2-methyl-5-methylidenehepta-1,3,6-triene;(5Z)-3,4,7-trimethylidenenona-1,5-diene
CID 144909675
(5Z)-2-fluoro-3,4,7-trimethylidenenona-1,5-diene;hydrofluoride
CID 143773200

Frequently Asked Questions

What is the IUPAC name of (3E,7Z)-5,6,9-trimethylidene-3-(trifluoromethyl)undeca-1,3,7-triene?
The IUPAC name of (3E,7Z)-5,6,9-trimethylidene-3-(trifluoromethyl)undeca-1,3,7-triene (CID 145480576) is (3E,7Z)-5,6,9-trimethylidene-3-(trifluoromethyl)undeca-1,3,7-triene.
What is the SMILES notation for (3E,7Z)-5,6,9-trimethylidene-3-(trifluoromethyl)undeca-1,3,7-triene?
The canonical SMILES for (3E,7Z)-5,6,9-trimethylidene-3-(trifluoromethyl)undeca-1,3,7-triene is C=C/C(=C\C(=C)C(=C)/C=C/C(=C)CC)C(F)(F)F.
What is the InChIKey of (3E,7Z)-5,6,9-trimethylidene-3-(trifluoromethyl)undeca-1,3,7-triene?
The InChIKey is WSCZODREWSFUNE-MYSCJDEHSA-N. The full InChI is InChI=1S/C15H17F3/c1-6-11(3)8-9-12(4)13(5)10-14(7-2)15(16,17)18/h7-10H,2-6H2,1H3/b9-8-,14-10+.
What are the key properties of (3E,7Z)-5,6,9-trimethylidene-3-(trifluoromethyl)undeca-1,3,7-triene?
(3E,7Z)-5,6,9-trimethylidene-3-(trifluoromethyl)undeca-1,3,7-triene has a molecular weight of 254.29 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7Z)-5,6,9-trimethylidene-3-(trifluoromethyl)undeca-1,3,7-triene is sourced from PubChem (CID 145480576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).