2-[2-(2-methylprop-1-enoxy)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)oxetane

C11H15F5O2 — CID 150477532

IUPAC2-[2-(2-methylprop-1-enoxy)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)oxetane
SMILESCC(C)=COCCC1CC(C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C11H15F5O2/c1-7(2)6-17-4-3-8-5-9(18-8)10(12,13)11(14,15)16/h6,8-9H,3-5H2,1-2H3
InChIKeyHTCPDOCTOHLHHH-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.67
Rot. Bonds5

About 2-[2-(2-methylprop-1-enoxy)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)oxetane

2-[2-(2-methylprop-1-enoxy)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)oxetane (PubChem CID 150477532) 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]-4-(1,1,2,2,2-pentafluoroethyl)oxetane.

Molecular Properties

Compound Name2-[2-(2-methylprop-1-enoxy)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)oxetane
PubChem CID150477532
Molecular FormulaC11H15F5O2
Molecular Weight274.23 g/mol
Exact Mass274.10
IUPAC Name2-[2-(2-methylprop-1-enoxy)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)oxetane
SMILESCC(C)=COCCC1CC(C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C11H15F5O2/c1-7(2)6-17-4-3-8-5-9(18-8)10(12,13)11(14,15)16/h6,8-9H,3-5H2,1-2H3
InChIKeyHTCPDOCTOHLHHH-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

2,3,3-Trifluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 150035645
2-[2-(2-Ethyl-3,3,4,4,4-pentafluorobut-1-enoxy)ethyl]oxetane
CID 150253257
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
2,3,3-Trifluoro-4-(2-prop-1-enoxypropyl)oxetane
CID 150814803
2-Methylprop-1-ene;2,2,3,3-tetrafluoro-4-[2-(oxiran-2-yl)ethyl]oxetane
CID 158595662
2-Ethyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 151197075

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-1-enoxy)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)oxetane?
The IUPAC name of 2-[2-(2-methylprop-1-enoxy)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)oxetane (CID 150477532) is 2-[2-(2-methylprop-1-enoxy)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)oxetane.
What is the SMILES notation for 2-[2-(2-methylprop-1-enoxy)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)oxetane?
The canonical SMILES for 2-[2-(2-methylprop-1-enoxy)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)oxetane is CC(C)=COCCC1CC(C(F)(F)C(F)(F)F)O1.
What is the InChIKey of 2-[2-(2-methylprop-1-enoxy)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)oxetane?
The InChIKey is HTCPDOCTOHLHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F5O2/c1-7(2)6-17-4-3-8-5-9(18-8)10(12,13)11(14,15)16/h6,8-9H,3-5H2,1-2H3.
What are the key properties of 2-[2-(2-methylprop-1-enoxy)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)oxetane?
2-[2-(2-methylprop-1-enoxy)ethyl]-4-(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]-4-(1,1,2,2,2-pentafluoroethyl)oxetane is sourced from PubChem (CID 150477532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).