3-propan-2-yloxy-3-(trifluoromethyl)oxetane

C7H11F3O2 — CID 167482253

IUPAC3-propan-2-yloxy-3-(trifluoromethyl)oxetane
SMILESCC(C)OC1(C(F)(F)F)COC1
InChIInChI=1S/C7H11F3O2/c1-5(2)12-6(3-11-4-6)7(8,9)10/h5H,3-4H2,1-2H3
InChIKeyYCOIQVYXUDGIQG-UHFFFAOYSA-N
MW184.16 g/mol
LogP1.74
Rot. Bonds2

About 3-propan-2-yloxy-3-(trifluoromethyl)oxetane

3-propan-2-yloxy-3-(trifluoromethyl)oxetane (PubChem CID 167482253) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is 3-propan-2-yloxy-3-(trifluoromethyl)oxetane.

Molecular Properties

Compound Name3-propan-2-yloxy-3-(trifluoromethyl)oxetane
PubChem CID167482253
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name3-propan-2-yloxy-3-(trifluoromethyl)oxetane
SMILESCC(C)OC1(C(F)(F)F)COC1
InChIInChI=1S/C7H11F3O2/c1-5(2)12-6(3-11-4-6)7(8,9)10/h5H,3-4H2,1-2H3
InChIKeyYCOIQVYXUDGIQG-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-3-(trifluoromethyl)oxetane?
The IUPAC name of 3-propan-2-yloxy-3-(trifluoromethyl)oxetane (CID 167482253) is 3-propan-2-yloxy-3-(trifluoromethyl)oxetane.
What is the SMILES notation for 3-propan-2-yloxy-3-(trifluoromethyl)oxetane?
The canonical SMILES for 3-propan-2-yloxy-3-(trifluoromethyl)oxetane is CC(C)OC1(C(F)(F)F)COC1.
What is the InChIKey of 3-propan-2-yloxy-3-(trifluoromethyl)oxetane?
The InChIKey is YCOIQVYXUDGIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O2/c1-5(2)12-6(3-11-4-6)7(8,9)10/h5H,3-4H2,1-2H3.
What are the key properties of 3-propan-2-yloxy-3-(trifluoromethyl)oxetane?
3-propan-2-yloxy-3-(trifluoromethyl)oxetane has a molecular weight of 184.16 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-3-(trifluoromethyl)oxetane is sourced from PubChem (CID 167482253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).