(2E,5E,6Z)-5-ethylidene-4,4-difluoro-8-methylideneundeca-2,6-diene

C14H20F2 — CID 166976431

IUPAC(2E,5E,6Z)-5-ethylidene-4,4-difluoro-8-methylideneundeca-2,6-diene
SMILESC=C(/C=C\C(=C/C)C(F)(F)/C=C/C)CCC
InChIInChI=1S/C14H20F2/c1-5-8-12(4)9-10-13(7-3)14(15,16)11-6-2/h6-7,9-11H,4-5,8H2,1-3H3/b10-9-,11-6+,13-7+
InChIKeyZVPCCHBMICLYNP-FQHCDIAWSA-N
MW226.31 g/mol
LogP5.06
Rot. Bonds6

About (2E,5E,6Z)-5-ethylidene-4,4-difluoro-8-methylideneundeca-2,6-diene

(2E,5E,6Z)-5-ethylidene-4,4-difluoro-8-methylideneundeca-2,6-diene (PubChem CID 166976431) has the molecular formula C14H20F2 and a molecular weight of 226.31 g/mol. Its IUPAC name is (2E,5E,6Z)-5-ethylidene-4,4-difluoro-8-methylideneundeca-2,6-diene.

Molecular Properties

Compound Name(2E,5E,6Z)-5-ethylidene-4,4-difluoro-8-methylideneundeca-2,6-diene
PubChem CID166976431
Molecular FormulaC14H20F2
Molecular Weight226.31 g/mol
Exact Mass226.15
IUPAC Name(2E,5E,6Z)-5-ethylidene-4,4-difluoro-8-methylideneundeca-2,6-diene
SMILESC=C(/C=C\C(=C/C)C(F)(F)/C=C/C)CCC
InChIInChI=1S/C14H20F2/c1-5-8-12(4)9-10-13(7-3)14(15,16)11-6-2/h6-7,9-11H,4-5,8H2,1-3H3/b10-9-,11-6+,13-7+
InChIKeyZVPCCHBMICLYNP-FQHCDIAWSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.31
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,5E,6Z)-5-ethylidene-4,4-difluoro-8-methylideneundeca-2,6-diene?
The IUPAC name of (2E,5E,6Z)-5-ethylidene-4,4-difluoro-8-methylideneundeca-2,6-diene (CID 166976431) is (2E,5E,6Z)-5-ethylidene-4,4-difluoro-8-methylideneundeca-2,6-diene.
What is the SMILES notation for (2E,5E,6Z)-5-ethylidene-4,4-difluoro-8-methylideneundeca-2,6-diene?
The canonical SMILES for (2E,5E,6Z)-5-ethylidene-4,4-difluoro-8-methylideneundeca-2,6-diene is C=C(/C=C\C(=C/C)C(F)(F)/C=C/C)CCC.
What is the InChIKey of (2E,5E,6Z)-5-ethylidene-4,4-difluoro-8-methylideneundeca-2,6-diene?
The InChIKey is ZVPCCHBMICLYNP-FQHCDIAWSA-N. The full InChI is InChI=1S/C14H20F2/c1-5-8-12(4)9-10-13(7-3)14(15,16)11-6-2/h6-7,9-11H,4-5,8H2,1-3H3/b10-9-,11-6+,13-7+.
What are the key properties of (2E,5E,6Z)-5-ethylidene-4,4-difluoro-8-methylideneundeca-2,6-diene?
(2E,5E,6Z)-5-ethylidene-4,4-difluoro-8-methylideneundeca-2,6-diene has a molecular weight of 226.31 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E,6Z)-5-ethylidene-4,4-difluoro-8-methylideneundeca-2,6-diene is sourced from PubChem (CID 166976431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).