2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid

C8H13F3N2O2 — CID 175831728

IUPAC2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
SMILESC1CC2(CN1)CNC2.O=C(O)C(F)(F)F
InChIInChI=1S/C6H12N2.C2HF3O2/c1-2-7-3-6(1)4-8-5-6;3-2(4,5)1(6)7/h7-8H,1-5H2;(H,6,7)
InChIKeyPULHGCAPQSXXBR-UHFFFAOYSA-N
MW226.20 g/mol
LogP0.20
Rot. Bonds

About 2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid

2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid (PubChem CID 175831728) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
PubChem CID175831728
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
SMILESC1CC2(CN1)CNC2.O=C(O)C(F)(F)F
InChIInChI=1S/C6H12N2.C2HF3O2/c1-2-7-3-6(1)4-8-5-6;3-2(4,5)1(6)7/h7-8H,1-5H2;(H,6,7)
InChIKeyPULHGCAPQSXXBR-UHFFFAOYSA-N
XLogP0.20
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,7-diazaspiro[3.4]octane;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

Related Compounds

6-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 90185681
3,3-difluoropiperidine;2,2,2-trifluoroacetic acid
CID 174927195
2,7-diazaspiro[3.4]octane;ethane
CID 143687523
2,7-diazaspiro[3.4]octane;ethane
CID 171068778
piperazine;bis(2,2,2-trifluoroacetic acid)
CID 88726631
6-azaspiro[3.4]octan-2-yl 2,2,2-trifluoroacetate
CID 155670355
4-(hydroxymethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid
CID 67270916
bis(8,8-difluoro-2-azaspiro[4.5]decane);oxalic acid
CID 127263576
7,7-difluoro-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
CID 91663925
spiro[2.5]octane;2,2,2-trifluoroacetic acid
CID 68898433
2-cyclopropyl-2,6-diazaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
CID 146272884
2,7-diazaspiro[3.4]octane;propane
CID 177136819

Frequently Asked Questions

What is the IUPAC name of 2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid?
The IUPAC name of 2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid (CID 175831728) is 2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid is C1CC2(CN1)CNC2.O=C(O)C(F)(F)F.
What is the InChIKey of 2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid?
The InChIKey is PULHGCAPQSXXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.C2HF3O2/c1-2-7-3-6(1)4-8-5-6;3-2(4,5)1(6)7/h7-8H,1-5H2;(H,6,7).
What are the key properties of 2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid?
2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid has a molecular weight of 226.20 g/mol, XLogP of 0.20, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175831728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).