6-azaspiro[3.4]octan-2-ol;2,2,2-trifluoroacetic acid

C9H14F3NO3 — CID 175919585

IUPAC6-azaspiro[3.4]octan-2-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC1CC2(CCNC2)C1
InChIInChI=1S/C7H13NO.C2HF3O2/c9-6-3-7(4-6)1-2-8-5-7;3-2(4,5)1(6)7/h6,8-9H,1-5H2;(H,6,7)
InChIKeyMOGCSMYQGNNIMS-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.75
Rot. Bonds

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

6-azaspiro[3.4]octan-2-ol;2,2,2-trifluoroacetic acid (PubChem CID 175919585) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 6-azaspiro[3.4]octan-2-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-azaspiro[3.4]octan-2-ol;2,2,2-trifluoroacetic acid
PubChem CID175919585
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name6-azaspiro[3.4]octan-2-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC1CC2(CCNC2)C1
InChIInChI=1S/C7H13NO.C2HF3O2/c9-6-3-7(4-6)1-2-8-5-7;3-2(4,5)1(6)7/h6,8-9H,1-5H2;(H,6,7)
InChIKeyMOGCSMYQGNNIMS-UHFFFAOYSA-N
XLogP0.75
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-Azaspiro[3.4]octan-3-yl 2,2,2-trifluoroacetate
CID 90185682
6-Azaspiro[3.4]octan-2-yl 2,2,2-trifluoroacetate
CID 155670355
3-Azabicyclo[3.2.0]heptan-6-ol;2,2,2-trifluoroacetic acid
CID 169744301
8,8-Difluoro-6-azaspiro[3.4]octan-2-ol
CID 177186304
3-(3,3,3-Trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxylic acid
CID 79425408

Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[3.4]octan-2-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-azaspiro[3.4]octan-2-ol;2,2,2-trifluoroacetic acid (CID 175919585) is 6-azaspiro[3.4]octan-2-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-azaspiro[3.4]octan-2-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-azaspiro[3.4]octan-2-ol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.OC1CC2(CCNC2)C1.
What is the InChIKey of 6-azaspiro[3.4]octan-2-ol;2,2,2-trifluoroacetic acid?
The InChIKey is MOGCSMYQGNNIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C2HF3O2/c9-6-3-7(4-6)1-2-8-5-7;3-2(4,5)1(6)7/h6,8-9H,1-5H2;(H,6,7).
What are the key properties of 6-azaspiro[3.4]octan-2-ol;2,2,2-trifluoroacetic acid?
6-azaspiro[3.4]octan-2-ol;2,2,2-trifluoroacetic acid has a molecular weight of 241.21 g/mol, XLogP of 0.75, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[3.4]octan-2-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175919585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).