5-azaspiro[2.4]heptan-2-yl 2,2,2-trifluoroacetate

C8H10F3NO2 — CID 90184960

IUPAC5-azaspiro[2.4]heptan-2-yl 2,2,2-trifluoroacetate
SMILESO=C(OC1CC12CCNC2)C(F)(F)F
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)6(13)14-5-3-7(5)1-2-12-4-7/h5,12H,1-4H2
InChIKeyREIUGGZPOLKRMC-UHFFFAOYSA-N
MW209.17 g/mol
LogP0.84
Rot. Bonds1

About 5-azaspiro[2.4]heptan-2-yl 2,2,2-trifluoroacetate

5-azaspiro[2.4]heptan-2-yl 2,2,2-trifluoroacetate (PubChem CID 90184960) has the molecular formula C8H10F3NO2 and a molecular weight of 209.17 g/mol. Its IUPAC name is 5-azaspiro[2.4]heptan-2-yl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name5-azaspiro[2.4]heptan-2-yl 2,2,2-trifluoroacetate
PubChem CID90184960
Molecular FormulaC8H10F3NO2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC Name5-azaspiro[2.4]heptan-2-yl 2,2,2-trifluoroacetate
SMILESO=C(OC1CC12CCNC2)C(F)(F)F
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)6(13)14-5-3-7(5)1-2-12-4-7/h5,12H,1-4H2
InChIKeyREIUGGZPOLKRMC-UHFFFAOYSA-N
XLogP0.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-azaspiro[2.4]heptan-2-yl 2,2,2-trifluoroacetate?
The IUPAC name of 5-azaspiro[2.4]heptan-2-yl 2,2,2-trifluoroacetate (CID 90184960) is 5-azaspiro[2.4]heptan-2-yl 2,2,2-trifluoroacetate.
What is the SMILES notation for 5-azaspiro[2.4]heptan-2-yl 2,2,2-trifluoroacetate?
The canonical SMILES for 5-azaspiro[2.4]heptan-2-yl 2,2,2-trifluoroacetate is O=C(OC1CC12CCNC2)C(F)(F)F.
What is the InChIKey of 5-azaspiro[2.4]heptan-2-yl 2,2,2-trifluoroacetate?
The InChIKey is REIUGGZPOLKRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2/c9-8(10,11)6(13)14-5-3-7(5)1-2-12-4-7/h5,12H,1-4H2.
What are the key properties of 5-azaspiro[2.4]heptan-2-yl 2,2,2-trifluoroacetate?
5-azaspiro[2.4]heptan-2-yl 2,2,2-trifluoroacetate has a molecular weight of 209.17 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azaspiro[2.4]heptan-2-yl 2,2,2-trifluoroacetate is sourced from PubChem (CID 90184960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).