(1Z,3E,5E)-5-ethoxy-1,2,3-trifluorohepta-1,3,5-triene

C9H11F3O — CID 143308187

IUPAC(1Z,3E,5E)-5-ethoxy-1,2,3-trifluorohepta-1,3,5-triene
SMILESC/C=C(\C=C(F)/C(F)=C/F)OCC
InChIInChI=1S/C9H11F3O/c1-3-7(13-4-2)5-8(11)9(12)6-10/h3,5-6H,4H2,1-2H3/b7-3+,8-5+,9-6-
InChIKeyXYACIPQENFGNNS-FILIWNOZSA-N
MW192.18 g/mol
LogP3.56
Rot. Bonds4

About (1Z,3E,5E)-5-ethoxy-1,2,3-trifluorohepta-1,3,5-triene

(1Z,3E,5E)-5-ethoxy-1,2,3-trifluorohepta-1,3,5-triene (PubChem CID 143308187) has the molecular formula C9H11F3O and a molecular weight of 192.18 g/mol. Its IUPAC name is (1Z,3E,5E)-5-ethoxy-1,2,3-trifluorohepta-1,3,5-triene.

Molecular Properties

Compound Name(1Z,3E,5E)-5-ethoxy-1,2,3-trifluorohepta-1,3,5-triene
PubChem CID143308187
Molecular FormulaC9H11F3O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name(1Z,3E,5E)-5-ethoxy-1,2,3-trifluorohepta-1,3,5-triene
SMILESC/C=C(\C=C(F)/C(F)=C/F)OCC
InChIInChI=1S/C9H11F3O/c1-3-7(13-4-2)5-8(11)9(12)6-10/h3,5-6H,4H2,1-2H3/b7-3+,8-5+,9-6-
InChIKeyXYACIPQENFGNNS-FILIWNOZSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 53.56
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 (1Z,3E,5E)-5-ethoxy-1,2,3-trifluorohepta-1,3,5-triene?
The IUPAC name of (1Z,3E,5E)-5-ethoxy-1,2,3-trifluorohepta-1,3,5-triene (CID 143308187) is (1Z,3E,5E)-5-ethoxy-1,2,3-trifluorohepta-1,3,5-triene.
What is the SMILES notation for (1Z,3E,5E)-5-ethoxy-1,2,3-trifluorohepta-1,3,5-triene?
The canonical SMILES for (1Z,3E,5E)-5-ethoxy-1,2,3-trifluorohepta-1,3,5-triene is C/C=C(\C=C(F)/C(F)=C/F)OCC.
What is the InChIKey of (1Z,3E,5E)-5-ethoxy-1,2,3-trifluorohepta-1,3,5-triene?
The InChIKey is XYACIPQENFGNNS-FILIWNOZSA-N. The full InChI is InChI=1S/C9H11F3O/c1-3-7(13-4-2)5-8(11)9(12)6-10/h3,5-6H,4H2,1-2H3/b7-3+,8-5+,9-6-.
What are the key properties of (1Z,3E,5E)-5-ethoxy-1,2,3-trifluorohepta-1,3,5-triene?
(1Z,3E,5E)-5-ethoxy-1,2,3-trifluorohepta-1,3,5-triene has a molecular weight of 192.18 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,5E)-5-ethoxy-1,2,3-trifluorohepta-1,3,5-triene is sourced from PubChem (CID 143308187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).