(3Z)-4-ethenoxy-3-(trifluoromethyl)penta-1,3-diene

C8H9F3O — CID 144770641

IUPAC(3Z)-4-ethenoxy-3-(trifluoromethyl)penta-1,3-diene
SMILESC=CO/C(C)=C(/C=C)C(F)(F)F
InChIInChI=1S/C8H9F3O/c1-4-7(8(9,10)11)6(3)12-5-2/h4-5H,1-2H2,3H3/b7-6-
InChIKeyZQIXVIUAKGUWFD-SREVYHEPSA-N
MW178.15 g/mol
LogP3.17
Rot. Bonds3

About (3Z)-4-ethenoxy-3-(trifluoromethyl)penta-1,3-diene

(3Z)-4-ethenoxy-3-(trifluoromethyl)penta-1,3-diene (PubChem CID 144770641) has the molecular formula C8H9F3O and a molecular weight of 178.15 g/mol. Its IUPAC name is (3Z)-4-ethenoxy-3-(trifluoromethyl)penta-1,3-diene.

Molecular Properties

Compound Name(3Z)-4-ethenoxy-3-(trifluoromethyl)penta-1,3-diene
PubChem CID144770641
Molecular FormulaC8H9F3O
Molecular Weight178.15 g/mol
Exact Mass178.06
IUPAC Name(3Z)-4-ethenoxy-3-(trifluoromethyl)penta-1,3-diene
SMILESC=CO/C(C)=C(/C=C)C(F)(F)F
InChIInChI=1S/C8H9F3O/c1-4-7(8(9,10)11)6(3)12-5-2/h4-5H,1-2H2,3H3/b7-6-
InChIKeyZQIXVIUAKGUWFD-SREVYHEPSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-4-ethenoxy-3-(trifluoromethyl)penta-1,3-diene?
The IUPAC name of (3Z)-4-ethenoxy-3-(trifluoromethyl)penta-1,3-diene (CID 144770641) is (3Z)-4-ethenoxy-3-(trifluoromethyl)penta-1,3-diene.
What is the SMILES notation for (3Z)-4-ethenoxy-3-(trifluoromethyl)penta-1,3-diene?
The canonical SMILES for (3Z)-4-ethenoxy-3-(trifluoromethyl)penta-1,3-diene is C=CO/C(C)=C(/C=C)C(F)(F)F.
What is the InChIKey of (3Z)-4-ethenoxy-3-(trifluoromethyl)penta-1,3-diene?
The InChIKey is ZQIXVIUAKGUWFD-SREVYHEPSA-N. The full InChI is InChI=1S/C8H9F3O/c1-4-7(8(9,10)11)6(3)12-5-2/h4-5H,1-2H2,3H3/b7-6-.
What are the key properties of (3Z)-4-ethenoxy-3-(trifluoromethyl)penta-1,3-diene?
(3Z)-4-ethenoxy-3-(trifluoromethyl)penta-1,3-diene has a molecular weight of 178.15 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-ethenoxy-3-(trifluoromethyl)penta-1,3-diene is sourced from PubChem (CID 144770641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).