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

C10H15F3O2 — CID 150377319

IUPAC2-[2-(2-methylprop-1-enoxy)ethyl]-3-(trifluoromethyl)oxetane
SMILESCC(C)=COCCC1OCC1C(F)(F)F
InChIInChI=1S/C10H15F3O2/c1-7(2)5-14-4-3-9-8(6-15-9)10(11,12)13/h5,8-9H,3-4,6H2,1-2H3
InChIKeyGYZCECFEPYCXPI-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.89
Rot. Bonds4

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

2-[2-(2-methylprop-1-enoxy)ethyl]-3-(trifluoromethyl)oxetane (PubChem CID 150377319) has the molecular formula C10H15F3O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-[2-(2-methylprop-1-enoxy)ethyl]-3-(trifluoromethyl)oxetane.

Molecular Properties

Compound Name2-[2-(2-methylprop-1-enoxy)ethyl]-3-(trifluoromethyl)oxetane
PubChem CID150377319
Molecular FormulaC10H15F3O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name2-[2-(2-methylprop-1-enoxy)ethyl]-3-(trifluoromethyl)oxetane
SMILESCC(C)=COCCC1OCC1C(F)(F)F
InChIInChI=1S/C10H15F3O2/c1-7(2)5-14-4-3-9-8(6-15-9)10(11,12)13/h5,8-9H,3-4,6H2,1-2H3
InChIKeyGYZCECFEPYCXPI-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.89
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

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-(1,1,2,2,2-Pentafluoroethyl)-3-(prop-1-enoxymethyl)oxetane
CID 150514793
2-[2-(2-Methylprop-1-enoxy)ethyl]-2-(1,1,2,2,2-pentafluoroethyl)oxetane
CID 150846152
2,2,3-Trifluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 151317514
3-[2-(2-Methylprop-1-enoxy)ethyl]-2-(trifluoromethyl)oxetane
CID 151406869
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
3-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 150247617

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-1-enoxy)ethyl]-3-(trifluoromethyl)oxetane?
The IUPAC name of 2-[2-(2-methylprop-1-enoxy)ethyl]-3-(trifluoromethyl)oxetane (CID 150377319) is 2-[2-(2-methylprop-1-enoxy)ethyl]-3-(trifluoromethyl)oxetane.
What is the SMILES notation for 2-[2-(2-methylprop-1-enoxy)ethyl]-3-(trifluoromethyl)oxetane?
The canonical SMILES for 2-[2-(2-methylprop-1-enoxy)ethyl]-3-(trifluoromethyl)oxetane is CC(C)=COCCC1OCC1C(F)(F)F.
What is the InChIKey of 2-[2-(2-methylprop-1-enoxy)ethyl]-3-(trifluoromethyl)oxetane?
The InChIKey is GYZCECFEPYCXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O2/c1-7(2)5-14-4-3-9-8(6-15-9)10(11,12)13/h5,8-9H,3-4,6H2,1-2H3.
What are the key properties of 2-[2-(2-methylprop-1-enoxy)ethyl]-3-(trifluoromethyl)oxetane?
2-[2-(2-methylprop-1-enoxy)ethyl]-3-(trifluoromethyl)oxetane has a molecular weight of 224.22 g/mol, XLogP of 2.89, 4 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]-3-(trifluoromethyl)oxetane is sourced from PubChem (CID 150377319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).