(6Z,8E)-4-ethynyl-8-fluoro-5-methylidenedeca-2,3,6,8-tetraene

C13H13F — CID 167021755

IUPAC(6Z,8E)-4-ethynyl-8-fluoro-5-methylidenedeca-2,3,6,8-tetraene
SMILESC#CC(=C=CC)C(=C)/C=C\C(F)=C/C
InChIInChI=1S/C13H13F/c1-5-8-12(6-2)11(4)9-10-13(14)7-3/h2,5,7,9-10H,4H2,1,3H3/b10-9-,13-7+
InChIKeyOGCVJVNYRYWEQY-QLNUPNCESA-N
MW188.25 g/mol
LogP3.71
Rot. Bonds3

About (6Z,8E)-4-ethynyl-8-fluoro-5-methylidenedeca-2,3,6,8-tetraene

(6Z,8E)-4-ethynyl-8-fluoro-5-methylidenedeca-2,3,6,8-tetraene (PubChem CID 167021755) has the molecular formula C13H13F and a molecular weight of 188.25 g/mol. Its IUPAC name is (6Z,8E)-4-ethynyl-8-fluoro-5-methylidenedeca-2,3,6,8-tetraene.

Molecular Properties

Compound Name(6Z,8E)-4-ethynyl-8-fluoro-5-methylidenedeca-2,3,6,8-tetraene
PubChem CID167021755
Molecular FormulaC13H13F
Molecular Weight188.25 g/mol
Exact Mass188.10
IUPAC Name(6Z,8E)-4-ethynyl-8-fluoro-5-methylidenedeca-2,3,6,8-tetraene
SMILESC#CC(=C=CC)C(=C)/C=C\C(F)=C/C
InChIInChI=1S/C13H13F/c1-5-8-12(6-2)11(4)9-10-13(14)7-3/h2,5,7,9-10H,4H2,1,3H3/b10-9-,13-7+
InChIKeyOGCVJVNYRYWEQY-QLNUPNCESA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z,8E)-4-ethynyl-8-fluoro-5-methylidenedeca-2,3,6,8-tetraene?
The IUPAC name of (6Z,8E)-4-ethynyl-8-fluoro-5-methylidenedeca-2,3,6,8-tetraene (CID 167021755) is (6Z,8E)-4-ethynyl-8-fluoro-5-methylidenedeca-2,3,6,8-tetraene.
What is the SMILES notation for (6Z,8E)-4-ethynyl-8-fluoro-5-methylidenedeca-2,3,6,8-tetraene?
The canonical SMILES for (6Z,8E)-4-ethynyl-8-fluoro-5-methylidenedeca-2,3,6,8-tetraene is C#CC(=C=CC)C(=C)/C=C\C(F)=C/C.
What is the InChIKey of (6Z,8E)-4-ethynyl-8-fluoro-5-methylidenedeca-2,3,6,8-tetraene?
The InChIKey is OGCVJVNYRYWEQY-QLNUPNCESA-N. The full InChI is InChI=1S/C13H13F/c1-5-8-12(6-2)11(4)9-10-13(14)7-3/h2,5,7,9-10H,4H2,1,3H3/b10-9-,13-7+.
What are the key properties of (6Z,8E)-4-ethynyl-8-fluoro-5-methylidenedeca-2,3,6,8-tetraene?
(6Z,8E)-4-ethynyl-8-fluoro-5-methylidenedeca-2,3,6,8-tetraene has a molecular weight of 188.25 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8E)-4-ethynyl-8-fluoro-5-methylidenedeca-2,3,6,8-tetraene is sourced from PubChem (CID 167021755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).