3-(2,2-dimethylpropyl)-3-(trifluoromethyl)oxetane

C9H15F3O — CID 135298984

IUPAC3-(2,2-dimethylpropyl)-3-(trifluoromethyl)oxetane
SMILESCC(C)(C)CC1(C(F)(F)F)COC1
InChIInChI=1S/C9H15F3O/c1-7(2,3)4-8(5-13-6-8)9(10,11)12/h4-6H2,1-3H3
InChIKeyAVOKAFPMYXGULV-UHFFFAOYSA-N
MW196.21 g/mol
LogP3.00
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-3-(trifluoromethyl)oxetane

3-(2,2-dimethylpropyl)-3-(trifluoromethyl)oxetane (PubChem CID 135298984) has the molecular formula C9H15F3O and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-3-(trifluoromethyl)oxetane.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-3-(trifluoromethyl)oxetane
PubChem CID135298984
Molecular FormulaC9H15F3O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name3-(2,2-dimethylpropyl)-3-(trifluoromethyl)oxetane
SMILESCC(C)(C)CC1(C(F)(F)F)COC1
InChIInChI=1S/C9H15F3O/c1-7(2,3)4-8(5-13-6-8)9(10,11)12/h4-6H2,1-3H3
InChIKeyAVOKAFPMYXGULV-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(2,2-dimethylpropyl)-3-(trifluoromethyl)oxetane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-3-(trifluoromethyl)oxetane?
The IUPAC name of 3-(2,2-dimethylpropyl)-3-(trifluoromethyl)oxetane (CID 135298984) is 3-(2,2-dimethylpropyl)-3-(trifluoromethyl)oxetane.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-3-(trifluoromethyl)oxetane?
The canonical SMILES for 3-(2,2-dimethylpropyl)-3-(trifluoromethyl)oxetane is CC(C)(C)CC1(C(F)(F)F)COC1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-3-(trifluoromethyl)oxetane?
The InChIKey is AVOKAFPMYXGULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O/c1-7(2,3)4-8(5-13-6-8)9(10,11)12/h4-6H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)-3-(trifluoromethyl)oxetane?
3-(2,2-dimethylpropyl)-3-(trifluoromethyl)oxetane has a molecular weight of 196.21 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-3-(trifluoromethyl)oxetane is sourced from PubChem (CID 135298984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).