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

C8H12F3NO2 — CID 86723566

IUPAC4-azaspiro[2.4]heptane;2,2,2-trifluoroacetic acid
SMILESC1CNC2(C1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C6H11N.C2HF3O2/c1-2-6(3-4-6)7-5-1;3-2(4,5)1(6)7/h7H,1-5H2;(H,6,7)
InChIKeyBMSQWGFRHCENRR-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.54
Rot. Bonds

About 4-azaspiro[2.4]heptane;2,2,2-trifluoroacetic acid

4-azaspiro[2.4]heptane;2,2,2-trifluoroacetic acid (PubChem CID 86723566) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 4-azaspiro[2.4]heptane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-azaspiro[2.4]heptane;2,2,2-trifluoroacetic acid
PubChem CID86723566
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name4-azaspiro[2.4]heptane;2,2,2-trifluoroacetic acid
SMILESC1CNC2(C1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C6H11N.C2HF3O2/c1-2-6(3-4-6)7-5-1;3-2(4,5)1(6)7/h7H,1-5H2;(H,6,7)
InChIKeyBMSQWGFRHCENRR-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-azaspiro[2.4]heptane;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-azaspiro[2.4]heptane;2,2,2-trifluoroacetic acid (CID 86723566) is 4-azaspiro[2.4]heptane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-azaspiro[2.4]heptane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-azaspiro[2.4]heptane;2,2,2-trifluoroacetic acid is C1CNC2(C1)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of 4-azaspiro[2.4]heptane;2,2,2-trifluoroacetic acid?
The InChIKey is BMSQWGFRHCENRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C2HF3O2/c1-2-6(3-4-6)7-5-1;3-2(4,5)1(6)7/h7H,1-5H2;(H,6,7).
What are the key properties of 4-azaspiro[2.4]heptane;2,2,2-trifluoroacetic acid?
4-azaspiro[2.4]heptane;2,2,2-trifluoroacetic acid has a molecular weight of 211.18 g/mol, XLogP of 1.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azaspiro[2.4]heptane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86723566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).