(3Z,7Z,9E)-10-fluoro-3-[(1Z,3E)-4-fluoropenta-1,3-dienyl]-6-methylidene-1-thiacycloundeca-3,7,9-triene

C16H18F2S — CID 167281450

IUPAC(3Z,7Z,9E)-10-fluoro-3-[(1Z,3E)-4-fluoropenta-1,3-dienyl]-6-methylidene-1-thiacycloundeca-3,7,9-triene
SMILESC=C1/C=C\C=C(\F)CSCC(/C=C\C=C(/C)F)=C\C1
InChIInChI=1S/C16H18F2S/c1-13-5-3-8-16(18)12-19-11-15(10-9-13)7-4-6-14(2)17/h3-8,10H,1,9,11-12H2,2H3/b5-3-,7-4-,14-6+,15-10-,16-8+
InChIKeyITAFUGMXDQATKR-YPXMLWGGSA-N
MW280.38 g/mol
LogP5.45
Rot. Bonds2

About (3Z,7Z,9E)-10-fluoro-3-[(1Z,3E)-4-fluoropenta-1,3-dienyl]-6-methylidene-1-thiacycloundeca-3,7,9-triene

(3Z,7Z,9E)-10-fluoro-3-[(1Z,3E)-4-fluoropenta-1,3-dienyl]-6-methylidene-1-thiacycloundeca-3,7,9-triene (PubChem CID 167281450) has the molecular formula C16H18F2S and a molecular weight of 280.38 g/mol. Its IUPAC name is (3Z,7Z,9E)-10-fluoro-3-[(1Z,3E)-4-fluoropenta-1,3-dienyl]-6-methylidene-1-thiacycloundeca-3,7,9-triene.

Molecular Properties

Compound Name(3Z,7Z,9E)-10-fluoro-3-[(1Z,3E)-4-fluoropenta-1,3-dienyl]-6-methylidene-1-thiacycloundeca-3,7,9-triene
PubChem CID167281450
Molecular FormulaC16H18F2S
Molecular Weight280.38 g/mol
Exact Mass280.11
IUPAC Name(3Z,7Z,9E)-10-fluoro-3-[(1Z,3E)-4-fluoropenta-1,3-dienyl]-6-methylidene-1-thiacycloundeca-3,7,9-triene
SMILESC=C1/C=C\C=C(\F)CSCC(/C=C\C=C(/C)F)=C\C1
InChIInChI=1S/C16H18F2S/c1-13-5-3-8-16(18)12-19-11-15(10-9-13)7-4-6-14(2)17/h3-8,10H,1,9,11-12H2,2H3/b5-3-,7-4-,14-6+,15-10-,16-8+
InChIKeyITAFUGMXDQATKR-YPXMLWGGSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.38
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,7Z,9E)-10-fluoro-3-[(1Z,3E)-4-fluoropenta-1,3-dienyl]-6-methylidene-1-thiacycloundeca-3,7,9-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,7Z,9E)-10-fluoro-3-[(1Z,3E)-4-fluoropenta-1,3-dienyl]-6-methylidene-1-thiacycloundeca-3,7,9-triene?
The IUPAC name of (3Z,7Z,9E)-10-fluoro-3-[(1Z,3E)-4-fluoropenta-1,3-dienyl]-6-methylidene-1-thiacycloundeca-3,7,9-triene (CID 167281450) is (3Z,7Z,9E)-10-fluoro-3-[(1Z,3E)-4-fluoropenta-1,3-dienyl]-6-methylidene-1-thiacycloundeca-3,7,9-triene.
What is the SMILES notation for (3Z,7Z,9E)-10-fluoro-3-[(1Z,3E)-4-fluoropenta-1,3-dienyl]-6-methylidene-1-thiacycloundeca-3,7,9-triene?
The canonical SMILES for (3Z,7Z,9E)-10-fluoro-3-[(1Z,3E)-4-fluoropenta-1,3-dienyl]-6-methylidene-1-thiacycloundeca-3,7,9-triene is C=C1/C=C\C=C(\F)CSCC(/C=C\C=C(/C)F)=C\C1.
What is the InChIKey of (3Z,7Z,9E)-10-fluoro-3-[(1Z,3E)-4-fluoropenta-1,3-dienyl]-6-methylidene-1-thiacycloundeca-3,7,9-triene?
The InChIKey is ITAFUGMXDQATKR-YPXMLWGGSA-N. The full InChI is InChI=1S/C16H18F2S/c1-13-5-3-8-16(18)12-19-11-15(10-9-13)7-4-6-14(2)17/h3-8,10H,1,9,11-12H2,2H3/b5-3-,7-4-,14-6+,15-10-,16-8+.
What are the key properties of (3Z,7Z,9E)-10-fluoro-3-[(1Z,3E)-4-fluoropenta-1,3-dienyl]-6-methylidene-1-thiacycloundeca-3,7,9-triene?
(3Z,7Z,9E)-10-fluoro-3-[(1Z,3E)-4-fluoropenta-1,3-dienyl]-6-methylidene-1-thiacycloundeca-3,7,9-triene has a molecular weight of 280.38 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z,9E)-10-fluoro-3-[(1Z,3E)-4-fluoropenta-1,3-dienyl]-6-methylidene-1-thiacycloundeca-3,7,9-triene is sourced from PubChem (CID 167281450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).