2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid

C8H11F3N2O3 — CID 134611665

IUPAC2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CC2(CNC2)CN1
InChIInChI=1S/C6H10N2O.C2HF3O2/c9-5-1-6(4-8-5)2-7-3-6;3-2(4,5)1(6)7/h7H,1-4H2,(H,8,9);(H,6,7)
InChIKeyMPNPHRMKZTUFGZ-UHFFFAOYSA-N
MW240.18 g/mol
LogP-0.27
Rot. Bonds

About 2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid

2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid (PubChem CID 134611665) has the molecular formula C8H11F3N2O3 and a molecular weight of 240.18 g/mol. Its IUPAC name is 2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid
PubChem CID134611665
Molecular FormulaC8H11F3N2O3
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Name2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CC2(CNC2)CN1
InChIInChI=1S/C6H10N2O.C2HF3O2/c9-5-1-6(4-8-5)2-7-3-6;3-2(4,5)1(6)7/h7H,1-4H2,(H,8,9);(H,6,7)
InChIKeyMPNPHRMKZTUFGZ-UHFFFAOYSA-N
XLogP-0.27
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

8,8-Difluoro-6-methyl-2,6-diazaspiro(3.4)octan-7-one; trifluoroacetic acid
CID 136575648
(4R)-4-(aminomethyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 170911342
2-(Trifluoroacetyl)-2,6-diazaspiro[3.4]octan-7-one
CID 167719808
N-methylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 170305964
(5S)-2-(3,3,3-trifluoro-2,2-dimethylpropanoyl)-2,7-diazaspiro[3.4]octane-5-carboxylic acid
CID 170757471
(5S)-2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid
CID 170759033
2,7-Diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 175831728
2-[1-(Trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid
CID 175981367
2-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylic acid
CID 175990541
4-[[3-(Trifluoromethyl)pyrrolidine-3-carbonyl]amino]butanoic acid
CID 55227462
3-[[3-(Trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 63710068
2-[[3-(Trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid
CID 63710394

Frequently Asked Questions

What is the IUPAC name of 2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid (CID 134611665) is 2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1CC2(CNC2)CN1.
What is the InChIKey of 2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid?
The InChIKey is MPNPHRMKZTUFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.C2HF3O2/c9-5-1-6(4-8-5)2-7-3-6;3-2(4,5)1(6)7/h7H,1-4H2,(H,8,9);(H,6,7).
What are the key properties of 2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid?
2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid has a molecular weight of 240.18 g/mol, XLogP of -0.27, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 134611665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).