5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid

C8H12F3NO4 — CID 146272897

IUPAC5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC1COC2(CNC2)C1
InChIInChI=1S/C6H11NO2.C2HF3O2/c8-5-1-6(9-2-5)3-7-4-6;3-2(4,5)1(6)7/h5,7-8H,1-4H2;(H,6,7)
InChIKeyOCAZADMEOGKOIK-UHFFFAOYSA-N
MW243.18 g/mol
LogP-0.26
Rot. Bonds

About 5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid

5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid (PubChem CID 146272897) has the molecular formula C8H12F3NO4 and a molecular weight of 243.18 g/mol. Its IUPAC name is 5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid
PubChem CID146272897
Molecular FormulaC8H12F3NO4
Molecular Weight243.18 g/mol
Exact Mass243.07
IUPAC Name5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC1COC2(CNC2)C1
InChIInChI=1S/C6H11NO2.C2HF3O2/c8-5-1-6(9-2-5)3-7-4-6;3-2(4,5)1(6)7/h5,7-8H,1-4H2;(H,6,7)
InChIKeyOCAZADMEOGKOIK-UHFFFAOYSA-N
XLogP-0.26
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid 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 5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid (CID 146272897) is 5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.OC1COC2(CNC2)C1.
What is the InChIKey of 5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid?
The InChIKey is OCAZADMEOGKOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C2HF3O2/c8-5-1-6(9-2-5)3-7-4-6;3-2(4,5)1(6)7/h5,7-8H,1-4H2;(H,6,7).
What are the key properties of 5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid?
5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid has a molecular weight of 243.18 g/mol, XLogP of -0.26, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146272897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).