2-[3-(trifluoromethyl)oxetan-3-yl]oxyethanol

C6H9F3O3 — CID 162404629

IUPAC2-[3-(trifluoromethyl)oxetan-3-yl]oxyethanol
SMILESOCCOC1(C(F)(F)F)COC1
InChIInChI=1S/C6H9F3O3/c7-6(8,9)5(3-11-4-5)12-2-1-10/h10H,1-4H2
InChIKeyBDOOAJDHZKLNSB-UHFFFAOYSA-N
MW186.13 g/mol
LogP0.33
Rot. Bonds3

About 2-[3-(trifluoromethyl)oxetan-3-yl]oxyethanol

2-[3-(trifluoromethyl)oxetan-3-yl]oxyethanol (PubChem CID 162404629) has the molecular formula C6H9F3O3 and a molecular weight of 186.13 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)oxetan-3-yl]oxyethanol.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)oxetan-3-yl]oxyethanol
PubChem CID162404629
Molecular FormulaC6H9F3O3
Molecular Weight186.13 g/mol
Exact Mass186.05
IUPAC Name2-[3-(trifluoromethyl)oxetan-3-yl]oxyethanol
SMILESOCCOC1(C(F)(F)F)COC1
InChIInChI=1S/C6H9F3O3/c7-6(8,9)5(3-11-4-5)12-2-1-10/h10H,1-4H2
InChIKeyBDOOAJDHZKLNSB-UHFFFAOYSA-N
XLogP0.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(trifluoromethyl)oxetan-3-yl]oxyethanol 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 2-[3-(trifluoromethyl)oxetan-3-yl]oxyethanol?
The IUPAC name of 2-[3-(trifluoromethyl)oxetan-3-yl]oxyethanol (CID 162404629) is 2-[3-(trifluoromethyl)oxetan-3-yl]oxyethanol.
What is the SMILES notation for 2-[3-(trifluoromethyl)oxetan-3-yl]oxyethanol?
The canonical SMILES for 2-[3-(trifluoromethyl)oxetan-3-yl]oxyethanol is OCCOC1(C(F)(F)F)COC1.
What is the InChIKey of 2-[3-(trifluoromethyl)oxetan-3-yl]oxyethanol?
The InChIKey is BDOOAJDHZKLNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O3/c7-6(8,9)5(3-11-4-5)12-2-1-10/h10H,1-4H2.
What are the key properties of 2-[3-(trifluoromethyl)oxetan-3-yl]oxyethanol?
2-[3-(trifluoromethyl)oxetan-3-yl]oxyethanol has a molecular weight of 186.13 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)oxetan-3-yl]oxyethanol is sourced from PubChem (CID 162404629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).