7-methyl-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid

C9H14F3NO3 — CID 146272683

IUPAC7-methyl-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
SMILESCC1COC2(CNC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13NO.C2HF3O2/c1-6-2-7(9-3-6)4-8-5-7;3-2(4,5)1(6)7/h6,8H,2-5H2,1H3;(H,6,7)
InChIKeyYIYIXAQPGOTHGA-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.02
Rot. Bonds

About 7-methyl-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid

7-methyl-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid (PubChem CID 146272683) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 7-methyl-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-methyl-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
PubChem CID146272683
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name7-methyl-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
SMILESCC1COC2(CNC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13NO.C2HF3O2/c1-6-2-7(9-3-6)4-8-5-7;3-2(4,5)1(6)7/h6,8H,2-5H2,1H3;(H,6,7)
InChIKeyYIYIXAQPGOTHGA-UHFFFAOYSA-N
XLogP1.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-methyl-5-oxa-2-azaspiro[3.4]octane;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 7-methyl-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-methyl-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid (CID 146272683) is 7-methyl-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-methyl-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-methyl-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid is CC1COC2(CNC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 7-methyl-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid?
The InChIKey is YIYIXAQPGOTHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C2HF3O2/c1-6-2-7(9-3-6)4-8-5-7;3-2(4,5)1(6)7/h6,8H,2-5H2,1H3;(H,6,7).
What are the key properties of 7-methyl-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid?
7-methyl-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid has a molecular weight of 241.21 g/mol, XLogP of 1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146272683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).