1-[2-(2-methylprop-1-enoxy)ethyl]-2-(trifluoromethoxy)cyclobutane

C11H17F3O2 — CID 150668606

IUPAC1-[2-(2-methylprop-1-enoxy)ethyl]-2-(trifluoromethoxy)cyclobutane
SMILESCC(C)=COCCC1CCC1OC(F)(F)F
InChIInChI=1S/C11H17F3O2/c1-8(2)7-15-6-5-9-3-4-10(9)16-11(12,13)14/h7,9-10H,3-6H2,1-2H3
InChIKeyJFKGBTXIXFCVHA-UHFFFAOYSA-N
MW238.25 g/mol
LogP3.63
Rot. Bonds5

About 1-[2-(2-methylprop-1-enoxy)ethyl]-2-(trifluoromethoxy)cyclobutane

1-[2-(2-methylprop-1-enoxy)ethyl]-2-(trifluoromethoxy)cyclobutane (PubChem CID 150668606) has the molecular formula C11H17F3O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-[2-(2-methylprop-1-enoxy)ethyl]-2-(trifluoromethoxy)cyclobutane.

Molecular Properties

Compound Name1-[2-(2-methylprop-1-enoxy)ethyl]-2-(trifluoromethoxy)cyclobutane
PubChem CID150668606
Molecular FormulaC11H17F3O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name1-[2-(2-methylprop-1-enoxy)ethyl]-2-(trifluoromethoxy)cyclobutane
SMILESCC(C)=COCCC1CCC1OC(F)(F)F
InChIInChI=1S/C11H17F3O2/c1-8(2)7-15-6-5-9-3-4-10(9)16-11(12,13)14/h7,9-10H,3-6H2,1-2H3
InChIKeyJFKGBTXIXFCVHA-UHFFFAOYSA-N
XLogP3.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 53.63
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

3-[2-(2-Methylprop-1-enoxy)ethyl]-2-(trifluoromethyl)oxetane
CID 151406869
1-(2-Prop-1-enoxyethyl)-2-(trifluoromethoxy)cyclobutane
CID 151522029
3-[2-(2-Methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane
CID 151698693
1-[2-(2-Methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethoxy)cyclobutane
CID 151731223
1-(1,1,2,2,2-Pentafluoroethoxy)-2-(2-prop-1-enoxyethyl)cyclobutane
CID 152459962

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylprop-1-enoxy)ethyl]-2-(trifluoromethoxy)cyclobutane?
The IUPAC name of 1-[2-(2-methylprop-1-enoxy)ethyl]-2-(trifluoromethoxy)cyclobutane (CID 150668606) is 1-[2-(2-methylprop-1-enoxy)ethyl]-2-(trifluoromethoxy)cyclobutane.
What is the SMILES notation for 1-[2-(2-methylprop-1-enoxy)ethyl]-2-(trifluoromethoxy)cyclobutane?
The canonical SMILES for 1-[2-(2-methylprop-1-enoxy)ethyl]-2-(trifluoromethoxy)cyclobutane is CC(C)=COCCC1CCC1OC(F)(F)F.
What is the InChIKey of 1-[2-(2-methylprop-1-enoxy)ethyl]-2-(trifluoromethoxy)cyclobutane?
The InChIKey is JFKGBTXIXFCVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3O2/c1-8(2)7-15-6-5-9-3-4-10(9)16-11(12,13)14/h7,9-10H,3-6H2,1-2H3.
What are the key properties of 1-[2-(2-methylprop-1-enoxy)ethyl]-2-(trifluoromethoxy)cyclobutane?
1-[2-(2-methylprop-1-enoxy)ethyl]-2-(trifluoromethoxy)cyclobutane has a molecular weight of 238.25 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylprop-1-enoxy)ethyl]-2-(trifluoromethoxy)cyclobutane is sourced from PubChem (CID 150668606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).