6-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid

C9H14F3NO2 — CID 90185681

IUPAC6-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
SMILESC1CC2(C1)CCNC2.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13N.C2HF3O2/c1-2-7(3-1)4-5-8-6-7;3-2(4,5)1(6)7/h8H,1-6H2;(H,6,7)
InChIKeyJDUJJPULDNRWIL-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.78
Rot. Bonds

About 6-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid

6-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid (PubChem CID 90185681) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 6-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
PubChem CID90185681
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name6-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
SMILESC1CC2(C1)CCNC2.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13N.C2HF3O2/c1-2-7(3-1)4-5-8-6-7;3-2(4,5)1(6)7/h8H,1-6H2;(H,6,7)
InChIKeyJDUJJPULDNRWIL-UHFFFAOYSA-N
XLogP1.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid (CID 90185681) is 6-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid is C1CC2(C1)CCNC2.O=C(O)C(F)(F)F.
What is the InChIKey of 6-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid?
The InChIKey is JDUJJPULDNRWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.C2HF3O2/c1-2-7(3-1)4-5-8-6-7;3-2(4,5)1(6)7/h8H,1-6H2;(H,6,7).
What are the key properties of 6-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid?
6-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid has a molecular weight of 225.21 g/mol, XLogP of 1.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 90185681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).