2-fluoro-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-1-one

C12H21FN2O — CID 166533500

IUPAC2-fluoro-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-1-one
SMILESCCC(F)C(=O)N1CCC2(CCN(C)C2)C1
InChIInChI=1S/C12H21FN2O/c1-3-10(13)11(16)15-7-5-12(9-15)4-6-14(2)8-12/h10H,3-9H2,1-2H3
InChIKeyHYMMTQMMIFZRAV-UHFFFAOYSA-N
MW228.31 g/mol
LogP1.29
Rot. Bonds2

About 2-fluoro-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-1-one

2-fluoro-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-1-one (PubChem CID 166533500) has the molecular formula C12H21FN2O and a molecular weight of 228.31 g/mol. Its IUPAC name is 2-fluoro-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-1-one.

Molecular Properties

Compound Name2-fluoro-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-1-one
PubChem CID166533500
Molecular FormulaC12H21FN2O
Molecular Weight228.31 g/mol
Exact Mass228.16
IUPAC Name2-fluoro-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-1-one
SMILESCCC(F)C(=O)N1CCC2(CCN(C)C2)C1
InChIInChI=1S/C12H21FN2O/c1-3-10(13)11(16)15-7-5-12(9-15)4-6-14(2)8-12/h10H,3-9H2,1-2H3
InChIKeyHYMMTQMMIFZRAV-UHFFFAOYSA-N
XLogP1.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-1-one?
The IUPAC name of 2-fluoro-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-1-one (CID 166533500) is 2-fluoro-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-1-one.
What is the SMILES notation for 2-fluoro-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-1-one?
The canonical SMILES for 2-fluoro-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-1-one is CCC(F)C(=O)N1CCC2(CCN(C)C2)C1.
What is the InChIKey of 2-fluoro-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-1-one?
The InChIKey is HYMMTQMMIFZRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2O/c1-3-10(13)11(16)15-7-5-12(9-15)4-6-14(2)8-12/h10H,3-9H2,1-2H3.
What are the key properties of 2-fluoro-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-1-one?
2-fluoro-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-1-one has a molecular weight of 228.31 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-1-one is sourced from PubChem (CID 166533500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).