1-(5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone

C10H16F2N2O — CID 166713396

IUPAC1-(5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
SMILESCC(=O)N1CCC2(CN(C)C2)C(F)(F)C1
InChIInChI=1S/C10H16F2N2O/c1-8(15)14-4-3-9(5-13(2)6-9)10(11,12)7-14/h3-7H2,1-2H3
InChIKeyQVFBNAFWTUFAOK-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.81
Rot. Bonds

About 1-(5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone

1-(5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone (PubChem CID 166713396) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is 1-(5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone.

Molecular Properties

Compound Name1-(5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
PubChem CID166713396
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name1-(5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
SMILESCC(=O)N1CCC2(CN(C)C2)C(F)(F)C1
InChIInChI=1S/C10H16F2N2O/c1-8(15)14-4-3-9(5-13(2)6-9)10(11,12)7-14/h3-7H2,1-2H3
InChIKeyQVFBNAFWTUFAOK-UHFFFAOYSA-N
XLogP0.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone?
The IUPAC name of 1-(5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone (CID 166713396) is 1-(5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone.
What is the SMILES notation for 1-(5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone?
The canonical SMILES for 1-(5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone is CC(=O)N1CCC2(CN(C)C2)C(F)(F)C1.
What is the InChIKey of 1-(5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone?
The InChIKey is QVFBNAFWTUFAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O/c1-8(15)14-4-3-9(5-13(2)6-9)10(11,12)7-14/h3-7H2,1-2H3.
What are the key properties of 1-(5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone?
1-(5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone has a molecular weight of 218.25 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone is sourced from PubChem (CID 166713396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).