2-ethoxy-4-(trifluoromethyl)penta-1,4-diene

C8H11F3O — CID 142428740

IUPAC2-ethoxy-4-(trifluoromethyl)penta-1,4-diene
SMILESC=C(CC(=C)C(F)(F)F)OCC
InChIInChI=1S/C8H11F3O/c1-4-12-7(3)5-6(2)8(9,10)11/h2-5H2,1H3
InChIKeyQXGXSPMIGAABAX-UHFFFAOYSA-N
MW180.17 g/mol
LogP3.05
Rot. Bonds4

About 2-ethoxy-4-(trifluoromethyl)penta-1,4-diene

2-ethoxy-4-(trifluoromethyl)penta-1,4-diene (PubChem CID 142428740) has the molecular formula C8H11F3O and a molecular weight of 180.17 g/mol. Its IUPAC name is 2-ethoxy-4-(trifluoromethyl)penta-1,4-diene.

Molecular Properties

Compound Name2-ethoxy-4-(trifluoromethyl)penta-1,4-diene
PubChem CID142428740
Molecular FormulaC8H11F3O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name2-ethoxy-4-(trifluoromethyl)penta-1,4-diene
SMILESC=C(CC(=C)C(F)(F)F)OCC
InChIInChI=1S/C8H11F3O/c1-4-12-7(3)5-6(2)8(9,10)11/h2-5H2,1H3
InChIKeyQXGXSPMIGAABAX-UHFFFAOYSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2-Ethoxy-4-methylpenta-1,4-diene
CID 12625765
3-Fluoro-4-(3,3,3-trifluoro-2,2-dimethylpropoxy)-2-(trifluoromethyl)pent-1-ene
CID 57838217
3-Methyl-2-(1,1,1-trifluoropropan-2-yloxy)pent-1-ene
CID 87159514
4-Ethoxy-2-(trifluoromethyl)but-1-ene
CID 118680511
2-Ethoxy-3,3-difluoro-4-methylpent-1-ene
CID 126599274
2-(2,2-Difluoroethoxy)-3-methylpent-1-ene
CID 132121957
4-But-1-en-2-yloxy-1,1,1,3,3-pentafluorobutane
CID 132194883
3,3,4-Trifluoro-4-methoxy-2-methylbut-1-ene
CID 134531024
2-Methyl-4-(trifluoromethoxy)pent-1-ene
CID 134560259
2-Methyl-4-(1,1,2,2-tetrafluoropropoxy)but-1-ene
CID 139758333
2-Methyl-4-(1,1,2-trifluoroethoxy)but-1-ene
CID 139758334
5,5,5-Trifluoro-2-methyl-4-(2,2,2-trifluoroethoxy)pent-1-ene
CID 147456797

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(trifluoromethyl)penta-1,4-diene?
The IUPAC name of 2-ethoxy-4-(trifluoromethyl)penta-1,4-diene (CID 142428740) is 2-ethoxy-4-(trifluoromethyl)penta-1,4-diene.
What is the SMILES notation for 2-ethoxy-4-(trifluoromethyl)penta-1,4-diene?
The canonical SMILES for 2-ethoxy-4-(trifluoromethyl)penta-1,4-diene is C=C(CC(=C)C(F)(F)F)OCC.
What is the InChIKey of 2-ethoxy-4-(trifluoromethyl)penta-1,4-diene?
The InChIKey is QXGXSPMIGAABAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O/c1-4-12-7(3)5-6(2)8(9,10)11/h2-5H2,1H3.
What are the key properties of 2-ethoxy-4-(trifluoromethyl)penta-1,4-diene?
2-ethoxy-4-(trifluoromethyl)penta-1,4-diene has a molecular weight of 180.17 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(trifluoromethyl)penta-1,4-diene is sourced from PubChem (CID 142428740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).