(2E,4E,6Z)-5-fluoro-7-(2-methylsulfanylethyl)deca-2,4,6-triene

C13H21FS — CID 167074445

IUPAC(2E,4E,6Z)-5-fluoro-7-(2-methylsulfanylethyl)deca-2,4,6-triene
SMILESC/C=C/C=C(F)\C=C(\CCC)CCSC
InChIInChI=1S/C13H21FS/c1-4-6-8-13(14)11-12(7-5-2)9-10-15-3/h4,6,8,11H,5,7,9-10H2,1-3H3/b6-4+,12-11-,13-8+
InChIKeyYFKSDFRSURCEPG-KBFGWKEPSA-N
MW228.38 g/mol
LogP4.90
Rot. Bonds7

About (2E,4E,6Z)-5-fluoro-7-(2-methylsulfanylethyl)deca-2,4,6-triene

(2E,4E,6Z)-5-fluoro-7-(2-methylsulfanylethyl)deca-2,4,6-triene (PubChem CID 167074445) has the molecular formula C13H21FS and a molecular weight of 228.38 g/mol. Its IUPAC name is (2E,4E,6Z)-5-fluoro-7-(2-methylsulfanylethyl)deca-2,4,6-triene.

Molecular Properties

Compound Name(2E,4E,6Z)-5-fluoro-7-(2-methylsulfanylethyl)deca-2,4,6-triene
PubChem CID167074445
Molecular FormulaC13H21FS
Molecular Weight228.38 g/mol
Exact Mass228.13
IUPAC Name(2E,4E,6Z)-5-fluoro-7-(2-methylsulfanylethyl)deca-2,4,6-triene
SMILESC/C=C/C=C(F)\C=C(\CCC)CCSC
InChIInChI=1S/C13H21FS/c1-4-6-8-13(14)11-12(7-5-2)9-10-15-3/h4,6,8,11H,5,7,9-10H2,1-3H3/b6-4+,12-11-,13-8+
InChIKeyYFKSDFRSURCEPG-KBFGWKEPSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4E,6Z)-5-fluoro-7-(2-methylsulfanylethyl)deca-2,4,6-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 (2E,4E,6Z)-5-fluoro-7-(2-methylsulfanylethyl)deca-2,4,6-triene?
The IUPAC name of (2E,4E,6Z)-5-fluoro-7-(2-methylsulfanylethyl)deca-2,4,6-triene (CID 167074445) is (2E,4E,6Z)-5-fluoro-7-(2-methylsulfanylethyl)deca-2,4,6-triene.
What is the SMILES notation for (2E,4E,6Z)-5-fluoro-7-(2-methylsulfanylethyl)deca-2,4,6-triene?
The canonical SMILES for (2E,4E,6Z)-5-fluoro-7-(2-methylsulfanylethyl)deca-2,4,6-triene is C/C=C/C=C(F)\C=C(\CCC)CCSC.
What is the InChIKey of (2E,4E,6Z)-5-fluoro-7-(2-methylsulfanylethyl)deca-2,4,6-triene?
The InChIKey is YFKSDFRSURCEPG-KBFGWKEPSA-N. The full InChI is InChI=1S/C13H21FS/c1-4-6-8-13(14)11-12(7-5-2)9-10-15-3/h4,6,8,11H,5,7,9-10H2,1-3H3/b6-4+,12-11-,13-8+.
What are the key properties of (2E,4E,6Z)-5-fluoro-7-(2-methylsulfanylethyl)deca-2,4,6-triene?
(2E,4E,6Z)-5-fluoro-7-(2-methylsulfanylethyl)deca-2,4,6-triene has a molecular weight of 228.38 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z)-5-fluoro-7-(2-methylsulfanylethyl)deca-2,4,6-triene is sourced from PubChem (CID 167074445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).