(7-methyl-2,7-diazaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate

C10H15F3N2O2 — CID 140853704

IUPAC(7-methyl-2,7-diazaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate
SMILESCN1CCC2(CC1)CNC2OC(=O)C(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c1-15-4-2-9(3-5-15)6-14-7(9)17-8(16)10(11,12)13/h7,14H,2-6H2,1H3
InChIKeyXMCRDXFPOAYADC-UHFFFAOYSA-N
MW252.24 g/mol
LogP0.73
Rot. Bonds1

About (7-methyl-2,7-diazaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate

(7-methyl-2,7-diazaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate (PubChem CID 140853704) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is (7-methyl-2,7-diazaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(7-methyl-2,7-diazaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate
PubChem CID140853704
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name(7-methyl-2,7-diazaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate
SMILESCN1CCC2(CC1)CNC2OC(=O)C(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c1-15-4-2-9(3-5-15)6-14-7(9)17-8(16)10(11,12)13/h7,14H,2-6H2,1H3
InChIKeyXMCRDXFPOAYADC-UHFFFAOYSA-N
XLogP0.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-2,7-diazaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (7-methyl-2,7-diazaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate (CID 140853704) is (7-methyl-2,7-diazaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (7-methyl-2,7-diazaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (7-methyl-2,7-diazaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate is CN1CCC2(CC1)CNC2OC(=O)C(F)(F)F.
What is the InChIKey of (7-methyl-2,7-diazaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate?
The InChIKey is XMCRDXFPOAYADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c1-15-4-2-9(3-5-15)6-14-7(9)17-8(16)10(11,12)13/h7,14H,2-6H2,1H3.
What are the key properties of (7-methyl-2,7-diazaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate?
(7-methyl-2,7-diazaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate has a molecular weight of 252.24 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-2,7-diazaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 140853704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).