6-methyl-2,6-diazaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)

C11H16F6N2O4 — CID 134129805

IUPAC6-methyl-2,6-diazaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
SMILESCN1CCC2(CNC2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2.2C2HF3O2/c1-9-3-2-7(6-9)4-8-5-7;2*3-2(4,5)1(6)7/h8H,2-6H2,1H3;2*(H,6,7)
InChIKeyWZUPAKCDYOZOTF-UHFFFAOYSA-N
MW354.25 g/mol
LogP1.18
Rot. Bonds

About 6-methyl-2,6-diazaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)

6-methyl-2,6-diazaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid) (PubChem CID 134129805) has the molecular formula C11H16F6N2O4 and a molecular weight of 354.25 g/mol. Its IUPAC name is 6-methyl-2,6-diazaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name6-methyl-2,6-diazaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
PubChem CID134129805
Molecular FormulaC11H16F6N2O4
Molecular Weight354.25 g/mol
Exact Mass354.10
IUPAC Name6-methyl-2,6-diazaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
SMILESCN1CCC2(CNC2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2.2C2HF3O2/c1-9-3-2-7(6-9)4-8-5-7;2*3-2(4,5)1(6)7/h8H,2-6H2,1H3;2*(H,6,7)
InChIKeyWZUPAKCDYOZOTF-UHFFFAOYSA-N
XLogP1.18
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,6-diazaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 6-methyl-2,6-diazaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid) (CID 134129805) is 6-methyl-2,6-diazaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 6-methyl-2,6-diazaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 6-methyl-2,6-diazaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid) is CN1CCC2(CNC2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 6-methyl-2,6-diazaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is WZUPAKCDYOZOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.2C2HF3O2/c1-9-3-2-7(6-9)4-8-5-7;2*3-2(4,5)1(6)7/h8H,2-6H2,1H3;2*(H,6,7).
What are the key properties of 6-methyl-2,6-diazaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)?
6-methyl-2,6-diazaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 354.25 g/mol, XLogP of 1.18, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,6-diazaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 134129805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).