(3Z)-2-ethoxy-5-(trifluoromethoxy)hexa-1,3,5-triene

C9H11F3O2 — CID 143486689

IUPAC(3Z)-2-ethoxy-5-(trifluoromethoxy)hexa-1,3,5-triene
SMILESC=C(/C=C\C(=C)OC(F)(F)F)OCC
InChIInChI=1S/C9H11F3O2/c1-4-13-7(2)5-6-8(3)14-9(10,11)12/h5-6H,2-4H2,1H3/b6-5-
InChIKeyZQGAORLDGJGERE-WAYWQWQTSA-N
MW208.18 g/mol
LogP3.14
Rot. Bonds5

About (3Z)-2-ethoxy-5-(trifluoromethoxy)hexa-1,3,5-triene

(3Z)-2-ethoxy-5-(trifluoromethoxy)hexa-1,3,5-triene (PubChem CID 143486689) has the molecular formula C9H11F3O2 and a molecular weight of 208.18 g/mol. Its IUPAC name is (3Z)-2-ethoxy-5-(trifluoromethoxy)hexa-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-2-ethoxy-5-(trifluoromethoxy)hexa-1,3,5-triene
PubChem CID143486689
Molecular FormulaC9H11F3O2
Molecular Weight208.18 g/mol
Exact Mass208.07
IUPAC Name(3Z)-2-ethoxy-5-(trifluoromethoxy)hexa-1,3,5-triene
SMILESC=C(/C=C\C(=C)OC(F)(F)F)OCC
InChIInChI=1S/C9H11F3O2/c1-4-13-7(2)5-6-8(3)14-9(10,11)12/h5-6H,2-4H2,1H3/b6-5-
InChIKeyZQGAORLDGJGERE-WAYWQWQTSA-N
XLogP3.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 53.14
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-5-(trifluoromethoxy)hexa-1,3,5-triene?
The IUPAC name of (3Z)-2-ethoxy-5-(trifluoromethoxy)hexa-1,3,5-triene (CID 143486689) is (3Z)-2-ethoxy-5-(trifluoromethoxy)hexa-1,3,5-triene.
What is the SMILES notation for (3Z)-2-ethoxy-5-(trifluoromethoxy)hexa-1,3,5-triene?
The canonical SMILES for (3Z)-2-ethoxy-5-(trifluoromethoxy)hexa-1,3,5-triene is C=C(/C=C\C(=C)OC(F)(F)F)OCC.
What is the InChIKey of (3Z)-2-ethoxy-5-(trifluoromethoxy)hexa-1,3,5-triene?
The InChIKey is ZQGAORLDGJGERE-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H11F3O2/c1-4-13-7(2)5-6-8(3)14-9(10,11)12/h5-6H,2-4H2,1H3/b6-5-.
What are the key properties of (3Z)-2-ethoxy-5-(trifluoromethoxy)hexa-1,3,5-triene?
(3Z)-2-ethoxy-5-(trifluoromethoxy)hexa-1,3,5-triene has a molecular weight of 208.18 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-ethoxy-5-(trifluoromethoxy)hexa-1,3,5-triene is sourced from PubChem (CID 143486689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).