1-(2-prop-1-enoxyethyl)-2-(trifluoromethoxy)cyclobutane

C10H15F3O2 — CID 151522029

IUPAC1-(2-prop-1-enoxyethyl)-2-(trifluoromethoxy)cyclobutane
SMILESCC=COCCC1CCC1OC(F)(F)F
InChIInChI=1S/C10H15F3O2/c1-2-6-14-7-5-8-3-4-9(8)15-10(11,12)13/h2,6,8-9H,3-5,7H2,1H3
InChIKeyPURIZDCWPQUXQX-UHFFFAOYSA-N
MW224.22 g/mol
LogP3.24
Rot. Bonds5

About 1-(2-prop-1-enoxyethyl)-2-(trifluoromethoxy)cyclobutane

1-(2-prop-1-enoxyethyl)-2-(trifluoromethoxy)cyclobutane (PubChem CID 151522029) has the molecular formula C10H15F3O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-(2-prop-1-enoxyethyl)-2-(trifluoromethoxy)cyclobutane.

Molecular Properties

Compound Name1-(2-prop-1-enoxyethyl)-2-(trifluoromethoxy)cyclobutane
PubChem CID151522029
Molecular FormulaC10H15F3O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name1-(2-prop-1-enoxyethyl)-2-(trifluoromethoxy)cyclobutane
SMILESCC=COCCC1CCC1OC(F)(F)F
InChIInChI=1S/C10H15F3O2/c1-2-6-14-7-5-8-3-4-9(8)15-10(11,12)13/h2,6,8-9H,3-5,7H2,1H3
InChIKeyPURIZDCWPQUXQX-UHFFFAOYSA-N
XLogP3.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 53.24
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-Prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane
CID 150116824
1-[2-(2-Methylprop-1-enoxy)ethyl]-2-(trifluoromethoxy)cyclobutane
CID 150668606
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
1-Ethoxy-2-(2-prop-1-enoxyethyl)cyclobutane
CID 150416328

Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-1-enoxyethyl)-2-(trifluoromethoxy)cyclobutane?
The IUPAC name of 1-(2-prop-1-enoxyethyl)-2-(trifluoromethoxy)cyclobutane (CID 151522029) is 1-(2-prop-1-enoxyethyl)-2-(trifluoromethoxy)cyclobutane.
What is the SMILES notation for 1-(2-prop-1-enoxyethyl)-2-(trifluoromethoxy)cyclobutane?
The canonical SMILES for 1-(2-prop-1-enoxyethyl)-2-(trifluoromethoxy)cyclobutane is CC=COCCC1CCC1OC(F)(F)F.
What is the InChIKey of 1-(2-prop-1-enoxyethyl)-2-(trifluoromethoxy)cyclobutane?
The InChIKey is PURIZDCWPQUXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O2/c1-2-6-14-7-5-8-3-4-9(8)15-10(11,12)13/h2,6,8-9H,3-5,7H2,1H3.
What are the key properties of 1-(2-prop-1-enoxyethyl)-2-(trifluoromethoxy)cyclobutane?
1-(2-prop-1-enoxyethyl)-2-(trifluoromethoxy)cyclobutane has a molecular weight of 224.22 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-1-enoxyethyl)-2-(trifluoromethoxy)cyclobutane is sourced from PubChem (CID 151522029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).