2-methylprop-1-ene;2-(oxiran-2-yl)-2-(trifluoromethyl)oxetane

C10H15F3O2 — CID 161410756

IUPAC2-methylprop-1-ene;2-(oxiran-2-yl)-2-(trifluoromethyl)oxetane
SMILESC=C(C)C.FC(F)(F)C1(C2CO2)CCO1
InChIInChI=1S/C6H7F3O2.C4H8/c7-6(8,9)5(1-2-11-5)4-3-10-4;1-4(2)3/h4H,1-3H2;1H2,2-3H3
InChIKeyVVKXUWLZFIFNJE-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.69
Rot. Bonds1

About 2-methylprop-1-ene;2-(oxiran-2-yl)-2-(trifluoromethyl)oxetane

2-methylprop-1-ene;2-(oxiran-2-yl)-2-(trifluoromethyl)oxetane (PubChem CID 161410756) has the molecular formula C10H15F3O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-methylprop-1-ene;2-(oxiran-2-yl)-2-(trifluoromethyl)oxetane.

Molecular Properties

Compound Name2-methylprop-1-ene;2-(oxiran-2-yl)-2-(trifluoromethyl)oxetane
PubChem CID161410756
Molecular FormulaC10H15F3O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name2-methylprop-1-ene;2-(oxiran-2-yl)-2-(trifluoromethyl)oxetane
SMILESC=C(C)C.FC(F)(F)C1(C2CO2)CCO1
InChIInChI=1S/C6H7F3O2.C4H8/c7-6(8,9)5(1-2-11-5)4-3-10-4;1-4(2)3/h4H,1-3H2;1H2,2-3H3
InChIKeyVVKXUWLZFIFNJE-UHFFFAOYSA-N
XLogP2.69
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-3-(2-methylprop-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxirane
CID 152616165
3,3-Difluoro-2-methylprop-1-ene;2-(oxiran-2-yl)oxetane
CID 159424119

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-1-ene;2-(oxiran-2-yl)-2-(trifluoromethyl)oxetane?
The IUPAC name of 2-methylprop-1-ene;2-(oxiran-2-yl)-2-(trifluoromethyl)oxetane (CID 161410756) is 2-methylprop-1-ene;2-(oxiran-2-yl)-2-(trifluoromethyl)oxetane.
What is the SMILES notation for 2-methylprop-1-ene;2-(oxiran-2-yl)-2-(trifluoromethyl)oxetane?
The canonical SMILES for 2-methylprop-1-ene;2-(oxiran-2-yl)-2-(trifluoromethyl)oxetane is C=C(C)C.FC(F)(F)C1(C2CO2)CCO1.
What is the InChIKey of 2-methylprop-1-ene;2-(oxiran-2-yl)-2-(trifluoromethyl)oxetane?
The InChIKey is VVKXUWLZFIFNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O2.C4H8/c7-6(8,9)5(1-2-11-5)4-3-10-4;1-4(2)3/h4H,1-3H2;1H2,2-3H3.
What are the key properties of 2-methylprop-1-ene;2-(oxiran-2-yl)-2-(trifluoromethyl)oxetane?
2-methylprop-1-ene;2-(oxiran-2-yl)-2-(trifluoromethyl)oxetane has a molecular weight of 224.22 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-ene;2-(oxiran-2-yl)-2-(trifluoromethyl)oxetane is sourced from PubChem (CID 161410756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).