3,3-dimethyl-2-(2,2,2-trifluoroethoxy)oxetane

C7H11F3O2 — CID 14643515

IUPAC3,3-dimethyl-2-(2,2,2-trifluoroethoxy)oxetane
SMILESCC1(C)COC1OCC(F)(F)F
InChIInChI=1S/C7H11F3O2/c1-6(2)3-11-5(6)12-4-7(8,9)10/h5H,3-4H2,1-2H3
InChIKeyGLGKAHQBHHJFHO-UHFFFAOYSA-N
MW184.16 g/mol
LogP1.95
Rot. Bonds2

About 3,3-dimethyl-2-(2,2,2-trifluoroethoxy)oxetane

3,3-dimethyl-2-(2,2,2-trifluoroethoxy)oxetane (PubChem CID 14643515) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is 3,3-dimethyl-2-(2,2,2-trifluoroethoxy)oxetane.

Molecular Properties

Compound Name3,3-dimethyl-2-(2,2,2-trifluoroethoxy)oxetane
PubChem CID14643515
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name3,3-dimethyl-2-(2,2,2-trifluoroethoxy)oxetane
SMILESCC1(C)COC1OCC(F)(F)F
InChIInChI=1S/C7H11F3O2/c1-6(2)3-11-5(6)12-4-7(8,9)10/h5H,3-4H2,1-2H3
InChIKeyGLGKAHQBHHJFHO-UHFFFAOYSA-N
XLogP1.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(2,2,2-trifluoroethoxy)oxetane?
The IUPAC name of 3,3-dimethyl-2-(2,2,2-trifluoroethoxy)oxetane (CID 14643515) is 3,3-dimethyl-2-(2,2,2-trifluoroethoxy)oxetane.
What is the SMILES notation for 3,3-dimethyl-2-(2,2,2-trifluoroethoxy)oxetane?
The canonical SMILES for 3,3-dimethyl-2-(2,2,2-trifluoroethoxy)oxetane is CC1(C)COC1OCC(F)(F)F.
What is the InChIKey of 3,3-dimethyl-2-(2,2,2-trifluoroethoxy)oxetane?
The InChIKey is GLGKAHQBHHJFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O2/c1-6(2)3-11-5(6)12-4-7(8,9)10/h5H,3-4H2,1-2H3.
What are the key properties of 3,3-dimethyl-2-(2,2,2-trifluoroethoxy)oxetane?
3,3-dimethyl-2-(2,2,2-trifluoroethoxy)oxetane has a molecular weight of 184.16 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(2,2,2-trifluoroethoxy)oxetane is sourced from PubChem (CID 14643515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).