3,3-dimethyloxetane;2,2,3-trifluorooxirane

C7H11F3O2 — CID 18471375

IUPAC3,3-dimethyloxetane;2,2,3-trifluorooxirane
SMILESCC1(C)COC1.FC1OC1(F)F
InChIInChI=1S/C5H10O.C2HF3O/c1-5(2)3-6-4-5;3-1-2(4,5)6-1/h3-4H2,1-2H3;1H
InChIKeyWTGUTSZLFODLGN-UHFFFAOYSA-N
MW184.16 g/mol
LogP1.95
Rot. Bonds

About 3,3-dimethyloxetane;2,2,3-trifluorooxirane

3,3-dimethyloxetane;2,2,3-trifluorooxirane (PubChem CID 18471375) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is 3,3-dimethyloxetane;2,2,3-trifluorooxirane.

Molecular Properties

Compound Name3,3-dimethyloxetane;2,2,3-trifluorooxirane
PubChem CID18471375
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name3,3-dimethyloxetane;2,2,3-trifluorooxirane
SMILESCC1(C)COC1.FC1OC1(F)F
InChIInChI=1S/C5H10O.C2HF3O/c1-5(2)3-6-4-5;3-1-2(4,5)6-1/h3-4H2,1-2H3;1H
InChIKeyWTGUTSZLFODLGN-UHFFFAOYSA-N
XLogP1.95
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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

Computed Properties (RDKit)

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

Analyze 3,3-dimethyloxetane;2,2,3-trifluorooxirane 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 3,3-dimethyloxetane;2,2,3-trifluorooxirane?
The IUPAC name of 3,3-dimethyloxetane;2,2,3-trifluorooxirane (CID 18471375) is 3,3-dimethyloxetane;2,2,3-trifluorooxirane.
What is the SMILES notation for 3,3-dimethyloxetane;2,2,3-trifluorooxirane?
The canonical SMILES for 3,3-dimethyloxetane;2,2,3-trifluorooxirane is CC1(C)COC1.FC1OC1(F)F.
What is the InChIKey of 3,3-dimethyloxetane;2,2,3-trifluorooxirane?
The InChIKey is WTGUTSZLFODLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.C2HF3O/c1-5(2)3-6-4-5;3-1-2(4,5)6-1/h3-4H2,1-2H3;1H.
What are the key properties of 3,3-dimethyloxetane;2,2,3-trifluorooxirane?
3,3-dimethyloxetane;2,2,3-trifluorooxirane has a molecular weight of 184.16 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyloxetane;2,2,3-trifluorooxirane is sourced from PubChem (CID 18471375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).