[2-ethoxy-1-(3,3,3-trifluoroprop-1-en-2-yloxy)but-3-enyl]benzene

C15H17F3O2 — CID 102404809

IUPAC[2-ethoxy-1-(3,3,3-trifluoroprop-1-en-2-yloxy)but-3-enyl]benzene
SMILESC=CC(OCC)C(OC(=C)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H17F3O2/c1-4-13(19-5-2)14(12-9-7-6-8-10-12)20-11(3)15(16,17)18/h4,6-10,13-14H,1,3,5H2,2H3
InChIKeyRWKSWBOEBOLLEK-UHFFFAOYSA-N
MW286.29 g/mol
LogP4.41
Rot. Bonds7

About [2-ethoxy-1-(3,3,3-trifluoroprop-1-en-2-yloxy)but-3-enyl]benzene

[2-ethoxy-1-(3,3,3-trifluoroprop-1-en-2-yloxy)but-3-enyl]benzene (PubChem CID 102404809) has the molecular formula C15H17F3O2 and a molecular weight of 286.29 g/mol. Its IUPAC name is [2-ethoxy-1-(3,3,3-trifluoroprop-1-en-2-yloxy)but-3-enyl]benzene.

Molecular Properties

Compound Name[2-ethoxy-1-(3,3,3-trifluoroprop-1-en-2-yloxy)but-3-enyl]benzene
PubChem CID102404809
Molecular FormulaC15H17F3O2
Molecular Weight286.29 g/mol
Exact Mass286.12
IUPAC Name[2-ethoxy-1-(3,3,3-trifluoroprop-1-en-2-yloxy)but-3-enyl]benzene
SMILESC=CC(OCC)C(OC(=C)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H17F3O2/c1-4-13(19-5-2)14(12-9-7-6-8-10-12)20-11(3)15(16,17)18/h4,6-10,13-14H,1,3,5H2,2H3
InChIKeyRWKSWBOEBOLLEK-UHFFFAOYSA-N
XLogP4.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Styrene Oxide
CID 7276
(S)-styrene oxide
CID 114946
1-Phenylethyl Acetate
CID 62341
Benzyl ethyl ether
CID 10873
Benzyl butyl ether
CID 61134
(+)-Styrene oxide
CID 114705
Benzyl octyl ether
CID 347508
Bis(1-phenylethyl) ether
CID 62342
Isoamyl benzyl ether
CID 31227
1-Phenylpropyl acetate
CID 101134
Benzene, (1-ethoxyethyl)-
CID 18693
(+)-Benzyl glycidyl ether
CID 146296

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-1-(3,3,3-trifluoroprop-1-en-2-yloxy)but-3-enyl]benzene?
The IUPAC name of [2-ethoxy-1-(3,3,3-trifluoroprop-1-en-2-yloxy)but-3-enyl]benzene (CID 102404809) is [2-ethoxy-1-(3,3,3-trifluoroprop-1-en-2-yloxy)but-3-enyl]benzene.
What is the SMILES notation for [2-ethoxy-1-(3,3,3-trifluoroprop-1-en-2-yloxy)but-3-enyl]benzene?
The canonical SMILES for [2-ethoxy-1-(3,3,3-trifluoroprop-1-en-2-yloxy)but-3-enyl]benzene is C=CC(OCC)C(OC(=C)C(F)(F)F)c1ccccc1.
What is the InChIKey of [2-ethoxy-1-(3,3,3-trifluoroprop-1-en-2-yloxy)but-3-enyl]benzene?
The InChIKey is RWKSWBOEBOLLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O2/c1-4-13(19-5-2)14(12-9-7-6-8-10-12)20-11(3)15(16,17)18/h4,6-10,13-14H,1,3,5H2,2H3.
What are the key properties of [2-ethoxy-1-(3,3,3-trifluoroprop-1-en-2-yloxy)but-3-enyl]benzene?
[2-ethoxy-1-(3,3,3-trifluoroprop-1-en-2-yloxy)but-3-enyl]benzene has a molecular weight of 286.29 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-1-(3,3,3-trifluoroprop-1-en-2-yloxy)but-3-enyl]benzene is sourced from PubChem (CID 102404809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).