3-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane

C11H15F5O2 — CID 151698693

IUPAC3-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane
SMILESCC(C)=COCCC1COC1C(F)(F)C(F)(F)F
InChIInChI=1S/C11H15F5O2/c1-7(2)5-17-4-3-8-6-18-9(8)10(12,13)11(14,15)16/h5,8-9H,3-4,6H2,1-2H3
InChIKeyRECRQJBXCNVGEE-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.53
Rot. Bonds5

About 3-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane

3-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane (PubChem CID 151698693) has the molecular formula C11H15F5O2 and a molecular weight of 274.23 g/mol. Its IUPAC name is 3-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane.

Molecular Properties

Compound Name3-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane
PubChem CID151698693
Molecular FormulaC11H15F5O2
Molecular Weight274.23 g/mol
Exact Mass274.10
IUPAC Name3-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane
SMILESCC(C)=COCCC1COC1C(F)(F)C(F)(F)F
InChIInChI=1S/C11H15F5O2/c1-7(2)5-17-4-3-8-6-18-9(8)10(12,13)11(14,15)16/h5,8-9H,3-4,6H2,1-2H3
InChIKeyRECRQJBXCNVGEE-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
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

3-(2-Prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane
CID 150116824
1-[2-(2-Methylprop-1-enoxy)ethyl]-2-(trifluoromethoxy)cyclobutane
CID 150668606
3-[2-(2-Methylprop-1-enoxy)ethyl]-2-(trifluoromethyl)oxetane
CID 151406869
1-[2-(2-Methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethoxy)cyclobutane
CID 151731223
2-(1,1,2,2,2-Pentafluoroethyl)-3-(2-prop-1-enoxyethyl)oxetane
CID 152039828
1-(1,1,2,2,2-Pentafluoroethoxy)-2-(2-prop-1-enoxyethyl)cyclobutane
CID 152459962
2-(2-Methylprop-1-enoxymethyl)-4-(1,1,2,2,2-pentafluoroethyl)oxetane
CID 150591151
2-Ethyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 151135874

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane?
The IUPAC name of 3-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane (CID 151698693) is 3-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane.
What is the SMILES notation for 3-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane?
The canonical SMILES for 3-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane is CC(C)=COCCC1COC1C(F)(F)C(F)(F)F.
What is the InChIKey of 3-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane?
The InChIKey is RECRQJBXCNVGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F5O2/c1-7(2)5-17-4-3-8-6-18-9(8)10(12,13)11(14,15)16/h5,8-9H,3-4,6H2,1-2H3.
What are the key properties of 3-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane?
3-[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 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane is sourced from PubChem (CID 151698693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).