3-tert-butyl-3-(trifluoromethyl)oxetane

C8H13F3O — CID 116875849

IUPAC3-tert-butyl-3-(trifluoromethyl)oxetane
SMILESCC(C)(C)C1(C(F)(F)F)COC1
InChIInChI=1S/C8H13F3O/c1-6(2,3)7(4-12-5-7)8(9,10)11/h4-5H2,1-3H3
InChIKeyBXKKWRXGVJSCMA-UHFFFAOYSA-N
MW182.18 g/mol
LogP2.61
Rot. Bonds

About 3-tert-butyl-3-(trifluoromethyl)oxetane

3-tert-butyl-3-(trifluoromethyl)oxetane (PubChem CID 116875849) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-tert-butyl-3-(trifluoromethyl)oxetane.

Molecular Properties

Compound Name3-tert-butyl-3-(trifluoromethyl)oxetane
PubChem CID116875849
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Name3-tert-butyl-3-(trifluoromethyl)oxetane
SMILESCC(C)(C)C1(C(F)(F)F)COC1
InChIInChI=1S/C8H13F3O/c1-6(2,3)7(4-12-5-7)8(9,10)11/h4-5H2,1-3H3
InChIKeyBXKKWRXGVJSCMA-UHFFFAOYSA-N
XLogP2.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-(trifluoromethyl)oxetane?
The IUPAC name of 3-tert-butyl-3-(trifluoromethyl)oxetane (CID 116875849) is 3-tert-butyl-3-(trifluoromethyl)oxetane.
What is the SMILES notation for 3-tert-butyl-3-(trifluoromethyl)oxetane?
The canonical SMILES for 3-tert-butyl-3-(trifluoromethyl)oxetane is CC(C)(C)C1(C(F)(F)F)COC1.
What is the InChIKey of 3-tert-butyl-3-(trifluoromethyl)oxetane?
The InChIKey is BXKKWRXGVJSCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O/c1-6(2,3)7(4-12-5-7)8(9,10)11/h4-5H2,1-3H3.
What are the key properties of 3-tert-butyl-3-(trifluoromethyl)oxetane?
3-tert-butyl-3-(trifluoromethyl)oxetane has a molecular weight of 182.18 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-(trifluoromethyl)oxetane is sourced from PubChem (CID 116875849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).