(2Z,4Z)-4-ethyl-9,9-difluoro-6-methylidene-5-prop-1-en-2-yldeca-2,4-diene

C16H24F2 — CID 126711089

IUPAC(2Z,4Z)-4-ethyl-9,9-difluoro-6-methylidene-5-prop-1-en-2-yldeca-2,4-diene
SMILESC=C(C)/C(C(=C)CCC(C)(F)F)=C(/C=C\C)CC
InChIInChI=1S/C16H24F2/c1-7-9-14(8-2)15(12(3)4)13(5)10-11-16(6,17)18/h7,9H,3,5,8,10-11H2,1-2,4,6H3/b9-7-,15-14-
InChIKeyLEELMSPCYPJCSW-XVPLPUPOSA-N
MW254.36 g/mol
LogP5.84
Rot. Bonds7

About (2Z,4Z)-4-ethyl-9,9-difluoro-6-methylidene-5-prop-1-en-2-yldeca-2,4-diene

(2Z,4Z)-4-ethyl-9,9-difluoro-6-methylidene-5-prop-1-en-2-yldeca-2,4-diene (PubChem CID 126711089) has the molecular formula C16H24F2 and a molecular weight of 254.36 g/mol. Its IUPAC name is (2Z,4Z)-4-ethyl-9,9-difluoro-6-methylidene-5-prop-1-en-2-yldeca-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z)-4-ethyl-9,9-difluoro-6-methylidene-5-prop-1-en-2-yldeca-2,4-diene
PubChem CID126711089
Molecular FormulaC16H24F2
Molecular Weight254.36 g/mol
Exact Mass254.18
IUPAC Name(2Z,4Z)-4-ethyl-9,9-difluoro-6-methylidene-5-prop-1-en-2-yldeca-2,4-diene
SMILESC=C(C)/C(C(=C)CCC(C)(F)F)=C(/C=C\C)CC
InChIInChI=1S/C16H24F2/c1-7-9-14(8-2)15(12(3)4)13(5)10-11-16(6,17)18/h7,9H,3,5,8,10-11H2,1-2,4,6H3/b9-7-,15-14-
InChIKeyLEELMSPCYPJCSW-XVPLPUPOSA-N
XLogP5.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.36
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2Z,4Z)-4-ethyl-9,9-difluoro-6-methylidene-5-prop-1-en-2-yldeca-2,4-diene 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 (2Z,4Z)-4-ethyl-9,9-difluoro-6-methylidene-5-prop-1-en-2-yldeca-2,4-diene?
The IUPAC name of (2Z,4Z)-4-ethyl-9,9-difluoro-6-methylidene-5-prop-1-en-2-yldeca-2,4-diene (CID 126711089) is (2Z,4Z)-4-ethyl-9,9-difluoro-6-methylidene-5-prop-1-en-2-yldeca-2,4-diene.
What is the SMILES notation for (2Z,4Z)-4-ethyl-9,9-difluoro-6-methylidene-5-prop-1-en-2-yldeca-2,4-diene?
The canonical SMILES for (2Z,4Z)-4-ethyl-9,9-difluoro-6-methylidene-5-prop-1-en-2-yldeca-2,4-diene is C=C(C)/C(C(=C)CCC(C)(F)F)=C(/C=C\C)CC.
What is the InChIKey of (2Z,4Z)-4-ethyl-9,9-difluoro-6-methylidene-5-prop-1-en-2-yldeca-2,4-diene?
The InChIKey is LEELMSPCYPJCSW-XVPLPUPOSA-N. The full InChI is InChI=1S/C16H24F2/c1-7-9-14(8-2)15(12(3)4)13(5)10-11-16(6,17)18/h7,9H,3,5,8,10-11H2,1-2,4,6H3/b9-7-,15-14-.
What are the key properties of (2Z,4Z)-4-ethyl-9,9-difluoro-6-methylidene-5-prop-1-en-2-yldeca-2,4-diene?
(2Z,4Z)-4-ethyl-9,9-difluoro-6-methylidene-5-prop-1-en-2-yldeca-2,4-diene has a molecular weight of 254.36 g/mol, XLogP of 5.84, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-4-ethyl-9,9-difluoro-6-methylidene-5-prop-1-en-2-yldeca-2,4-diene is sourced from PubChem (CID 126711089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).