(3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene

C9H12F2O2 — CID 143286467

IUPAC(3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene
SMILESC=C(OC)/C(F)=C(/F)C(=C)OCC
InChIInChI=1S/C9H12F2O2/c1-5-13-7(3)9(11)8(10)6(2)12-4/h2-3,5H2,1,4H3/b9-8-
InChIKeyGKEYIRIURDASBU-HJWRWDBZSA-N
MW190.19 g/mol
LogP2.85
Rot. Bonds5

About (3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene

(3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene (PubChem CID 143286467) has the molecular formula C9H12F2O2 and a molecular weight of 190.19 g/mol. Its IUPAC name is (3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene
PubChem CID143286467
Molecular FormulaC9H12F2O2
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name(3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene
SMILESC=C(OC)/C(F)=C(/F)C(=C)OCC
InChIInChI=1S/C9H12F2O2/c1-5-13-7(3)9(11)8(10)6(2)12-4/h2-3,5H2,1,4H3/b9-8-
InChIKeyGKEYIRIURDASBU-HJWRWDBZSA-N
XLogP2.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene?
The IUPAC name of (3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene (CID 143286467) is (3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene.
What is the SMILES notation for (3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene?
The canonical SMILES for (3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene is C=C(OC)/C(F)=C(/F)C(=C)OCC.
What is the InChIKey of (3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene?
The InChIKey is GKEYIRIURDASBU-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H12F2O2/c1-5-13-7(3)9(11)8(10)6(2)12-4/h2-3,5H2,1,4H3/b9-8-.
What are the key properties of (3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene?
(3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene has a molecular weight of 190.19 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene is sourced from PubChem (CID 143286467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).