2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid

C9H13F3N2O3 — CID 84819414

IUPAC2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1NCCC12CCNC2
InChIInChI=1S/C7H12N2O.C2HF3O2/c10-6-7(2-4-9-6)1-3-8-5-7;3-2(4,5)1(6)7/h8H,1-5H2,(H,9,10);(H,6,7)
InChIKeyHLTARPVIMQQKAG-UHFFFAOYSA-N
MW254.21 g/mol
LogP0.12
Rot. Bonds

About 2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid

2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid (PubChem CID 84819414) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is 2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
PubChem CID84819414
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1NCCC12CCNC2
InChIInChI=1S/C7H12N2O.C2HF3O2/c10-6-7(2-4-9-6)1-3-8-5-7;3-2(4,5)1(6)7/h8H,1-5H2,(H,9,10);(H,6,7)
InChIKeyHLTARPVIMQQKAG-UHFFFAOYSA-N
XLogP0.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,9-Diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 160560664
(3S)-N-cyclopentylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 171924997
3-Ethyl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 175690762
3-Methyl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 175690766
2,8-Diazaspiro[4.5]decan-3-one 2,2,2-trifluoroacetate
CID 50998535
4-[[3-(Trifluoromethyl)pyrrolidine-3-carbonyl]amino]butanoic acid
CID 55227462
1-(3-Ethylpyrrolidine-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709067
1-(3-Methylpyrrolidine-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709979
3-[[3-(Trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 63710068
1-(Pyrrolidine-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710511
3-Ethyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 63719578
1-[3-(Trifluoromethyl)pyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 63721864

Frequently Asked Questions

What is the IUPAC name of 2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid (CID 84819414) is 2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1NCCC12CCNC2.
What is the InChIKey of 2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid?
The InChIKey is HLTARPVIMQQKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.C2HF3O2/c10-6-7(2-4-9-6)1-3-8-5-7;3-2(4,5)1(6)7/h8H,1-5H2,(H,9,10);(H,6,7).
What are the key properties of 2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid?
2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid has a molecular weight of 254.21 g/mol, XLogP of 0.12, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 84819414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).