(3Z,5Z)-5-ethyl-2-(trifluoromethoxy)octa-3,5-diene

C11H17F3O — CID 137381294

IUPAC(3Z,5Z)-5-ethyl-2-(trifluoromethoxy)octa-3,5-diene
SMILESCC/C=C(\C=C/C(C)OC(F)(F)F)CC
InChIInChI=1S/C11H17F3O/c1-4-6-10(5-2)8-7-9(3)15-11(12,13)14/h6-9H,4-5H2,1-3H3/b8-7-,10-6-
InChIKeyNJGIAZTXSHPHSL-OYIUBJQVSA-N
MW222.25 g/mol
LogP4.21
Rot. Bonds5

About (3Z,5Z)-5-ethyl-2-(trifluoromethoxy)octa-3,5-diene

(3Z,5Z)-5-ethyl-2-(trifluoromethoxy)octa-3,5-diene (PubChem CID 137381294) has the molecular formula C11H17F3O and a molecular weight of 222.25 g/mol. Its IUPAC name is (3Z,5Z)-5-ethyl-2-(trifluoromethoxy)octa-3,5-diene.

Molecular Properties

Compound Name(3Z,5Z)-5-ethyl-2-(trifluoromethoxy)octa-3,5-diene
PubChem CID137381294
Molecular FormulaC11H17F3O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name(3Z,5Z)-5-ethyl-2-(trifluoromethoxy)octa-3,5-diene
SMILESCC/C=C(\C=C/C(C)OC(F)(F)F)CC
InChIInChI=1S/C11H17F3O/c1-4-6-10(5-2)8-7-9(3)15-11(12,13)14/h6-9H,4-5H2,1-3H3/b8-7-,10-6-
InChIKeyNJGIAZTXSHPHSL-OYIUBJQVSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5-ethyl-2-(trifluoromethoxy)octa-3,5-diene?
The IUPAC name of (3Z,5Z)-5-ethyl-2-(trifluoromethoxy)octa-3,5-diene (CID 137381294) is (3Z,5Z)-5-ethyl-2-(trifluoromethoxy)octa-3,5-diene.
What is the SMILES notation for (3Z,5Z)-5-ethyl-2-(trifluoromethoxy)octa-3,5-diene?
The canonical SMILES for (3Z,5Z)-5-ethyl-2-(trifluoromethoxy)octa-3,5-diene is CC/C=C(\C=C/C(C)OC(F)(F)F)CC.
What is the InChIKey of (3Z,5Z)-5-ethyl-2-(trifluoromethoxy)octa-3,5-diene?
The InChIKey is NJGIAZTXSHPHSL-OYIUBJQVSA-N. The full InChI is InChI=1S/C11H17F3O/c1-4-6-10(5-2)8-7-9(3)15-11(12,13)14/h6-9H,4-5H2,1-3H3/b8-7-,10-6-.
What are the key properties of (3Z,5Z)-5-ethyl-2-(trifluoromethoxy)octa-3,5-diene?
(3Z,5Z)-5-ethyl-2-(trifluoromethoxy)octa-3,5-diene has a molecular weight of 222.25 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-ethyl-2-(trifluoromethoxy)octa-3,5-diene is sourced from PubChem (CID 137381294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).