2-[2-(2-ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)ethyl]oxetane

C11H15F5O2 — CID 150253257

IUPAC2-[2-(2-ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)ethyl]oxetane
SMILESCCC(=COCCC1CCO1)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H15F5O2/c1-2-8(10(12,13)11(14,15)16)7-17-5-3-9-4-6-18-9/h7,9H,2-6H2,1H3
InChIKeyFZZYIWNNBPZAOS-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.67
Rot. Bonds6

About 2-[2-(2-ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)ethyl]oxetane

2-[2-(2-ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)ethyl]oxetane (PubChem CID 150253257) has the molecular formula C11H15F5O2 and a molecular weight of 274.23 g/mol. Its IUPAC name is 2-[2-(2-ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)ethyl]oxetane.

Molecular Properties

Compound Name2-[2-(2-ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)ethyl]oxetane
PubChem CID150253257
Molecular FormulaC11H15F5O2
Molecular Weight274.23 g/mol
Exact Mass274.10
IUPAC Name2-[2-(2-ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)ethyl]oxetane
SMILESCCC(=COCCC1CCO1)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H15F5O2/c1-2-8(10(12,13)11(14,15)16)7-17-5-3-9-4-6-18-9/h7,9H,2-6H2,1H3
InChIKeyFZZYIWNNBPZAOS-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.67
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,3,3-Trifluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 150035645
2,4-Difluoro-2-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 150190710
2,3-Difluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 150198232
2-[2-(2-Methylprop-1-enoxy)ethyl]-3-(trifluoromethyl)oxetane
CID 150377319
2-[2-(2-Methylprop-1-enoxy)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)oxetane
CID 150477532
2-[2-(2-Methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane
CID 150846152
2,2,3-Trifluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 151317514
2,2,3,3-Tetrafluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 151646928
2,3-Difluoro-2-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 151998660

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)ethyl]oxetane?
The IUPAC name of 2-[2-(2-ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)ethyl]oxetane (CID 150253257) is 2-[2-(2-ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)ethyl]oxetane.
What is the SMILES notation for 2-[2-(2-ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)ethyl]oxetane?
The canonical SMILES for 2-[2-(2-ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)ethyl]oxetane is CCC(=COCCC1CCO1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[2-(2-ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)ethyl]oxetane?
The InChIKey is FZZYIWNNBPZAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F5O2/c1-2-8(10(12,13)11(14,15)16)7-17-5-3-9-4-6-18-9/h7,9H,2-6H2,1H3.
What are the key properties of 2-[2-(2-ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)ethyl]oxetane?
2-[2-(2-ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)ethyl]oxetane has a molecular weight of 274.23 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)ethyl]oxetane is sourced from PubChem (CID 150253257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).