5-azaspiro[2.4]heptane;2,2,2-trifluoroacetic acid

C8H12F3NO2 — CID 67880317

IUPAC5-azaspiro[2.4]heptane;2,2,2-trifluoroacetic acid
SMILESC1CC2(CC2)CN1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H11N.C2HF3O2/c1-2-6(1)3-4-7-5-6;3-2(4,5)1(6)7/h7H,1-5H2;(H,6,7)
InChIKeyONLRQNABOSXFGO-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.39
Rot. Bonds

About 5-azaspiro[2.4]heptane;2,2,2-trifluoroacetic acid

5-azaspiro[2.4]heptane;2,2,2-trifluoroacetic acid (PubChem CID 67880317) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 5-azaspiro[2.4]heptane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-azaspiro[2.4]heptane;2,2,2-trifluoroacetic acid
PubChem CID67880317
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name5-azaspiro[2.4]heptane;2,2,2-trifluoroacetic acid
SMILESC1CC2(CC2)CN1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H11N.C2HF3O2/c1-2-6(1)3-4-7-5-6;3-2(4,5)1(6)7/h7H,1-5H2;(H,6,7)
InChIKeyONLRQNABOSXFGO-UHFFFAOYSA-N
XLogP1.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-azaspiro[2.4]heptane;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-azaspiro[2.4]heptane;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-azaspiro[2.4]heptane;2,2,2-trifluoroacetic acid (CID 67880317) is 5-azaspiro[2.4]heptane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-azaspiro[2.4]heptane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-azaspiro[2.4]heptane;2,2,2-trifluoroacetic acid is C1CC2(CC2)CN1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-azaspiro[2.4]heptane;2,2,2-trifluoroacetic acid?
The InChIKey is ONLRQNABOSXFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C2HF3O2/c1-2-6(1)3-4-7-5-6;3-2(4,5)1(6)7/h7H,1-5H2;(H,6,7).
What are the key properties of 5-azaspiro[2.4]heptane;2,2,2-trifluoroacetic acid?
5-azaspiro[2.4]heptane;2,2,2-trifluoroacetic acid has a molecular weight of 211.18 g/mol, XLogP of 1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azaspiro[2.4]heptane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67880317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).