[3-(trifluoromethyl)oxolan-3-yl]methanol

C6H9F3O2 — CID 175998389

IUPAC[3-(trifluoromethyl)oxolan-3-yl]methanol
SMILESOCC1(C(F)(F)F)CCOC1
InChIInChI=1S/C6H9F3O2/c7-6(8,9)5(3-10)1-2-11-4-5/h10H,1-4H2
InChIKeyOZBHBYSRUCEZOE-UHFFFAOYSA-N
MW170.13 g/mol
LogP0.95
Rot. Bonds1

About [3-(trifluoromethyl)oxolan-3-yl]methanol

[3-(trifluoromethyl)oxolan-3-yl]methanol (PubChem CID 175998389) has the molecular formula C6H9F3O2 and a molecular weight of 170.13 g/mol. Its IUPAC name is [3-(trifluoromethyl)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-(trifluoromethyl)oxolan-3-yl]methanol
PubChem CID175998389
Molecular FormulaC6H9F3O2
Molecular Weight170.13 g/mol
Exact Mass170.06
IUPAC Name[3-(trifluoromethyl)oxolan-3-yl]methanol
SMILESOCC1(C(F)(F)F)CCOC1
InChIInChI=1S/C6H9F3O2/c7-6(8,9)5(3-10)1-2-11-4-5/h10H,1-4H2
InChIKeyOZBHBYSRUCEZOE-UHFFFAOYSA-N
XLogP0.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(trifluoromethyl)oxolan-3-yl]methanol 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-(trifluoromethyl)oxolan-3-yl]methanol?
The IUPAC name of [3-(trifluoromethyl)oxolan-3-yl]methanol (CID 175998389) is [3-(trifluoromethyl)oxolan-3-yl]methanol.
What is the SMILES notation for [3-(trifluoromethyl)oxolan-3-yl]methanol?
The canonical SMILES for [3-(trifluoromethyl)oxolan-3-yl]methanol is OCC1(C(F)(F)F)CCOC1.
What is the InChIKey of [3-(trifluoromethyl)oxolan-3-yl]methanol?
The InChIKey is OZBHBYSRUCEZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O2/c7-6(8,9)5(3-10)1-2-11-4-5/h10H,1-4H2.
What are the key properties of [3-(trifluoromethyl)oxolan-3-yl]methanol?
[3-(trifluoromethyl)oxolan-3-yl]methanol has a molecular weight of 170.13 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)oxolan-3-yl]methanol is sourced from PubChem (CID 175998389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).