2-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane

C11H15F5O2 — CID 150846152

IUPAC2-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane
SMILESCC(C)=COCCC1(C(F)(F)C(F)(F)F)CCO1
InChIInChI=1S/C11H15F5O2/c1-8(2)7-17-5-3-9(4-6-18-9)10(12,13)11(14,15)16/h7H,3-6H2,1-2H3
InChIKeyKPASHMWTQIHFET-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.67
Rot. Bonds5

About 2-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane

2-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane (PubChem CID 150846152) has the molecular formula C11H15F5O2 and a molecular weight of 274.23 g/mol. Its IUPAC name is 2-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane.

Molecular Properties

Compound Name2-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane
PubChem CID150846152
Molecular FormulaC11H15F5O2
Molecular Weight274.23 g/mol
Exact Mass274.10
IUPAC Name2-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane
SMILESCC(C)=COCCC1(C(F)(F)C(F)(F)F)CCO1
InChIInChI=1S/C11H15F5O2/c1-8(2)7-17-5-3-9(4-6-18-9)10(12,13)11(14,15)16/h7H,3-6H2,1-2H3
InChIKeyKPASHMWTQIHFET-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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-(2-But-1-enoxyethyl)-2-(trifluoromethyl)oxetane
CID 141062653
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-Ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)ethyl]oxetane
CID 150253257
2-[2-(2-Methylprop-1-enoxy)ethyl]-3-(trifluoromethyl)oxetane
CID 150377319
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
2-(2-Ethoxyethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane;2-methylprop-1-ene
CID 157206898
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 150076792
2-Ethyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 151447757

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane?
The IUPAC name of 2-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane (CID 150846152) is 2-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane.
What is the SMILES notation for 2-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane?
The canonical SMILES for 2-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane is CC(C)=COCCC1(C(F)(F)C(F)(F)F)CCO1.
What is the InChIKey of 2-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane?
The InChIKey is KPASHMWTQIHFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F5O2/c1-8(2)7-17-5-3-9(4-6-18-9)10(12,13)11(14,15)16/h7H,3-6H2,1-2H3.
What are the key properties of 2-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane?
2-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane has a molecular weight of 274.23 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane is sourced from PubChem (CID 150846152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).