8,8-difluoro-6-methyl-2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid

C9H11F5N2O3 — CID 136575648

IUPAC8,8-difluoro-6-methyl-2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid
SMILESCN1CC2(CNC2)C(F)(F)C1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C7H10F2N2O.C2HF3O2/c1-11-4-6(2-10-3-6)7(8,9)5(11)12;3-2(4,5)1(6)7/h10H,2-4H2,1H3;(H,6,7)
InChIKeyPKMLLWUNGLGISP-UHFFFAOYSA-N
MW290.19 g/mol
LogP0.32
Rot. Bonds

About 8,8-difluoro-6-methyl-2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid

8,8-difluoro-6-methyl-2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid (PubChem CID 136575648) has the molecular formula C9H11F5N2O3 and a molecular weight of 290.19 g/mol. Its IUPAC name is 8,8-difluoro-6-methyl-2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8,8-difluoro-6-methyl-2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid
PubChem CID136575648
Molecular FormulaC9H11F5N2O3
Molecular Weight290.19 g/mol
Exact Mass290.07
IUPAC Name8,8-difluoro-6-methyl-2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid
SMILESCN1CC2(CNC2)C(F)(F)C1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C7H10F2N2O.C2HF3O2/c1-11-4-6(2-10-3-6)7(8,9)5(11)12;3-2(4,5)1(6)7/h10H,2-4H2,1H3;(H,6,7)
InChIKeyPKMLLWUNGLGISP-UHFFFAOYSA-N
XLogP0.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8,8-difluoro-6-methyl-2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

2,6-Diazaspiro[3.4]octan-7-one; trifluoroacetic acid
CID 134611665
6-Methyl-2,6-diazaspiro[3.4]octane; bis(trifluoroacetic acid)
CID 134129805
6-Methyl-2,6-diazaspiro[3.4]octane 2,2,2-trifluoroacetic acid
CID 156592397
2-(Trifluoroacetyl)-2,6-diazaspiro[3.4]octan-7-one
CID 167719808
(5S)-2-(3,3,3-trifluoro-2,2-dimethylpropanoyl)-2,7-diazaspiro[3.4]octane-5-carboxylic acid
CID 170757471
Methyl 2,6-diazaspiro[3.4]octane-6-carboxylate;2,2,2-trifluoroacetic acid
CID 175936629
3-[Methyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 63710928
3-[Ethyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 63710958
2-[1-[3-(Trifluoromethyl)pyrrolidine-3-carbonyl]azetidin-3-yl]acetic acid
CID 64605223
1-[2-(Azetidin-3-yl)acetyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 64612059
1-(Azetidine-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65965626
1-[3-(Trifluoromethyl)pyrrolidine-3-carbonyl]azetidine-3-carboxylic acid
CID 79309163

Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-6-methyl-2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 8,8-difluoro-6-methyl-2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid (CID 136575648) is 8,8-difluoro-6-methyl-2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8,8-difluoro-6-methyl-2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8,8-difluoro-6-methyl-2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid is CN1CC2(CNC2)C(F)(F)C1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 8,8-difluoro-6-methyl-2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid?
The InChIKey is PKMLLWUNGLGISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O.C2HF3O2/c1-11-4-6(2-10-3-6)7(8,9)5(11)12;3-2(4,5)1(6)7/h10H,2-4H2,1H3;(H,6,7).
What are the key properties of 8,8-difluoro-6-methyl-2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid?
8,8-difluoro-6-methyl-2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid has a molecular weight of 290.19 g/mol, XLogP of 0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-6-methyl-2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 136575648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).