(3Z,5E)-9-fluoro-3,6,9-trimethyldeca-1,3,5-triene

C13H21F — CID 167003915

IUPAC(3Z,5E)-9-fluoro-3,6,9-trimethyldeca-1,3,5-triene
SMILESC=C/C(C)=C\C=C(/C)CCC(C)(C)F
InChIInChI=1S/C13H21F/c1-6-11(2)7-8-12(3)9-10-13(4,5)14/h6-8H,1,9-10H2,2-5H3/b11-7-,12-8+
InChIKeyUGODSKZIHORGPT-NTLHZVPKSA-N
MW196.31 g/mol
LogP4.59
Rot. Bonds5

About (3Z,5E)-9-fluoro-3,6,9-trimethyldeca-1,3,5-triene

(3Z,5E)-9-fluoro-3,6,9-trimethyldeca-1,3,5-triene (PubChem CID 167003915) has the molecular formula C13H21F and a molecular weight of 196.31 g/mol. Its IUPAC name is (3Z,5E)-9-fluoro-3,6,9-trimethyldeca-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-9-fluoro-3,6,9-trimethyldeca-1,3,5-triene
PubChem CID167003915
Molecular FormulaC13H21F
Molecular Weight196.31 g/mol
Exact Mass196.16
IUPAC Name(3Z,5E)-9-fluoro-3,6,9-trimethyldeca-1,3,5-triene
SMILESC=C/C(C)=C\C=C(/C)CCC(C)(C)F
InChIInChI=1S/C13H21F/c1-6-11(2)7-8-12(3)9-10-13(4,5)14/h6-8H,1,9-10H2,2-5H3/b11-7-,12-8+
InChIKeyUGODSKZIHORGPT-NTLHZVPKSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3Z,5E)-9-fluoro-3,6,9-trimethyldeca-1,3,5-triene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-9-fluoro-3,6,9-trimethyldeca-1,3,5-triene?
The IUPAC name of (3Z,5E)-9-fluoro-3,6,9-trimethyldeca-1,3,5-triene (CID 167003915) is (3Z,5E)-9-fluoro-3,6,9-trimethyldeca-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-9-fluoro-3,6,9-trimethyldeca-1,3,5-triene?
The canonical SMILES for (3Z,5E)-9-fluoro-3,6,9-trimethyldeca-1,3,5-triene is C=C/C(C)=C\C=C(/C)CCC(C)(C)F.
What is the InChIKey of (3Z,5E)-9-fluoro-3,6,9-trimethyldeca-1,3,5-triene?
The InChIKey is UGODSKZIHORGPT-NTLHZVPKSA-N. The full InChI is InChI=1S/C13H21F/c1-6-11(2)7-8-12(3)9-10-13(4,5)14/h6-8H,1,9-10H2,2-5H3/b11-7-,12-8+.
What are the key properties of (3Z,5E)-9-fluoro-3,6,9-trimethyldeca-1,3,5-triene?
(3Z,5E)-9-fluoro-3,6,9-trimethyldeca-1,3,5-triene has a molecular weight of 196.31 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-9-fluoro-3,6,9-trimethyldeca-1,3,5-triene is sourced from PubChem (CID 167003915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).