(2E,4Z)-1,5-difluoro-1,2,4-trimethoxyhepta-2,4-diene

C10H16F2O3 — CID 146304351

IUPAC(2E,4Z)-1,5-difluoro-1,2,4-trimethoxyhepta-2,4-diene
SMILESCC/C(F)=C(\C=C(\OC)C(F)OC)OC
InChIInChI=1S/C10H16F2O3/c1-5-7(11)8(13-2)6-9(14-3)10(12)15-4/h6,10H,5H2,1-4H3/b8-7-,9-6+
InChIKeyRGEFEVPKALWAHG-SOKJVCRVSA-N
MW222.23 g/mol
LogP2.70
Rot. Bonds6

About (2E,4Z)-1,5-difluoro-1,2,4-trimethoxyhepta-2,4-diene

(2E,4Z)-1,5-difluoro-1,2,4-trimethoxyhepta-2,4-diene (PubChem CID 146304351) has the molecular formula C10H16F2O3 and a molecular weight of 222.23 g/mol. Its IUPAC name is (2E,4Z)-1,5-difluoro-1,2,4-trimethoxyhepta-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-1,5-difluoro-1,2,4-trimethoxyhepta-2,4-diene
PubChem CID146304351
Molecular FormulaC10H16F2O3
Molecular Weight222.23 g/mol
Exact Mass222.11
IUPAC Name(2E,4Z)-1,5-difluoro-1,2,4-trimethoxyhepta-2,4-diene
SMILESCC/C(F)=C(\C=C(\OC)C(F)OC)OC
InChIInChI=1S/C10H16F2O3/c1-5-7(11)8(13-2)6-9(14-3)10(12)15-4/h6,10H,5H2,1-4H3/b8-7-,9-6+
InChIKeyRGEFEVPKALWAHG-SOKJVCRVSA-N
XLogP2.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-1,5-difluoro-1,2,4-trimethoxyhepta-2,4-diene?
The IUPAC name of (2E,4Z)-1,5-difluoro-1,2,4-trimethoxyhepta-2,4-diene (CID 146304351) is (2E,4Z)-1,5-difluoro-1,2,4-trimethoxyhepta-2,4-diene.
What is the SMILES notation for (2E,4Z)-1,5-difluoro-1,2,4-trimethoxyhepta-2,4-diene?
The canonical SMILES for (2E,4Z)-1,5-difluoro-1,2,4-trimethoxyhepta-2,4-diene is CC/C(F)=C(\C=C(\OC)C(F)OC)OC.
What is the InChIKey of (2E,4Z)-1,5-difluoro-1,2,4-trimethoxyhepta-2,4-diene?
The InChIKey is RGEFEVPKALWAHG-SOKJVCRVSA-N. The full InChI is InChI=1S/C10H16F2O3/c1-5-7(11)8(13-2)6-9(14-3)10(12)15-4/h6,10H,5H2,1-4H3/b8-7-,9-6+.
What are the key properties of (2E,4Z)-1,5-difluoro-1,2,4-trimethoxyhepta-2,4-diene?
(2E,4Z)-1,5-difluoro-1,2,4-trimethoxyhepta-2,4-diene has a molecular weight of 222.23 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-1,5-difluoro-1,2,4-trimethoxyhepta-2,4-diene is sourced from PubChem (CID 146304351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).