2-(2-but-1-enoxyethyl)-2-(trifluoromethyl)oxetane

C10H15F3O2 — CID 141062653

IUPAC2-(2-but-1-enoxyethyl)-2-(trifluoromethyl)oxetane
SMILESCCC=COCCC1(C(F)(F)F)CCO1
InChIInChI=1S/C10H15F3O2/c1-2-3-6-14-7-4-9(5-8-15-9)10(11,12)13/h3,6H,2,4-5,7-8H2,1H3
InChIKeyYHLOGLDFAAXDLI-UHFFFAOYSA-N
MW224.22 g/mol
LogP3.04
Rot. Bonds5

About 2-(2-but-1-enoxyethyl)-2-(trifluoromethyl)oxetane

2-(2-but-1-enoxyethyl)-2-(trifluoromethyl)oxetane (PubChem CID 141062653) has the molecular formula C10H15F3O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-(2-but-1-enoxyethyl)-2-(trifluoromethyl)oxetane.

Molecular Properties

Compound Name2-(2-but-1-enoxyethyl)-2-(trifluoromethyl)oxetane
PubChem CID141062653
Molecular FormulaC10H15F3O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name2-(2-but-1-enoxyethyl)-2-(trifluoromethyl)oxetane
SMILESCCC=COCCC1(C(F)(F)F)CCO1
InChIInChI=1S/C10H15F3O2/c1-2-3-6-14-7-4-9(5-8-15-9)10(11,12)13/h3,6H,2,4-5,7-8H2,1H3
InChIKeyYHLOGLDFAAXDLI-UHFFFAOYSA-N
XLogP3.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Ethoxyprop-2-enyl)-2-(fluoromethyl)oxetane
CID 118422162
2-(But-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane
CID 141062650
2-[2-(2-Methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane
CID 150846152

Frequently Asked Questions

What is the IUPAC name of 2-(2-but-1-enoxyethyl)-2-(trifluoromethyl)oxetane?
The IUPAC name of 2-(2-but-1-enoxyethyl)-2-(trifluoromethyl)oxetane (CID 141062653) is 2-(2-but-1-enoxyethyl)-2-(trifluoromethyl)oxetane.
What is the SMILES notation for 2-(2-but-1-enoxyethyl)-2-(trifluoromethyl)oxetane?
The canonical SMILES for 2-(2-but-1-enoxyethyl)-2-(trifluoromethyl)oxetane is CCC=COCCC1(C(F)(F)F)CCO1.
What is the InChIKey of 2-(2-but-1-enoxyethyl)-2-(trifluoromethyl)oxetane?
The InChIKey is YHLOGLDFAAXDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O2/c1-2-3-6-14-7-4-9(5-8-15-9)10(11,12)13/h3,6H,2,4-5,7-8H2,1H3.
What are the key properties of 2-(2-but-1-enoxyethyl)-2-(trifluoromethyl)oxetane?
2-(2-but-1-enoxyethyl)-2-(trifluoromethyl)oxetane has a molecular weight of 224.22 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-but-1-enoxyethyl)-2-(trifluoromethyl)oxetane is sourced from PubChem (CID 141062653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).