7-methyl-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid

C10H17F3N2O2 — CID 126573828

IUPAC7-methyl-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
SMILESCN1CCC2(CC1)CNC2.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2.C2HF3O2/c1-10-4-2-8(3-5-10)6-9-7-8;3-2(4,5)1(6)7/h9H,2-7H2,1H3;(H,6,7)
InChIKeyBOBZENFCQBYNRW-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.93
Rot. Bonds

About 7-methyl-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid

7-methyl-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid (PubChem CID 126573828) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 7-methyl-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-methyl-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
PubChem CID126573828
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name7-methyl-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
SMILESCN1CCC2(CC1)CNC2.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2.C2HF3O2/c1-10-4-2-8(3-5-10)6-9-7-8;3-2(4,5)1(6)7/h9H,2-7H2,1H3;(H,6,7)
InChIKeyBOBZENFCQBYNRW-UHFFFAOYSA-N
XLogP0.93
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Azetidin-1-ylmethyl)piperidine,bis(trifluoroacetic acid)
CID 53484595
1-{2,7-Diazaspiro[3.5]nonan-7-yl}ethan-1-one; trifluoroacetic acid
CID 132353978
2-(Prop-2-yn-1-yl)-2,7-diazaspiro(3.5)nonane; bis(trifluoroacetic acid)
CID 165750275
3-Isopropyl-3,9-diaza-spiro[5.5]undecane trifluoroacetate
CID 69157434
N,N-dimethyl-1-piperidin-4-ylmethanamine;2,2,2-trifluoroacetic acid
CID 69796798
N,N-dimethyl-2-piperidin-4-ylethanamine;2,2,2-trifluoroacetic acid
CID 69796846
1-[2-(Azetidin-3-yl)ethyl]piperidine-4,4-dicarbonitrile;2,2,2-trifluoroacetic acid
CID 126573280
7-(2,2-Difluoroethyl)-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 126573815
C-(1-methyl-piperidin-4-yl)-methylamine TFA salt
CID 131724002
N-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
CID 146586371
3-(5,5-Difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropanoic acid
CID 146586508
5,5-Difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
CID 159512923

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-methyl-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid (CID 126573828) is 7-methyl-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-methyl-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-methyl-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid is CN1CCC2(CC1)CNC2.O=C(O)C(F)(F)F.
What is the InChIKey of 7-methyl-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
The InChIKey is BOBZENFCQBYNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.C2HF3O2/c1-10-4-2-8(3-5-10)6-9-7-8;3-2(4,5)1(6)7/h9H,2-7H2,1H3;(H,6,7).
What are the key properties of 7-methyl-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
7-methyl-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid has a molecular weight of 254.25 g/mol, XLogP of 0.93, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,7-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 126573828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).