1-[(3S)-3-fluoro-1-azaspiro[4.4]nonan-3-yl]ethanone

C10H16FNO — CID 177059672

IUPAC1-[(3S)-3-fluoro-1-azaspiro[4.4]nonan-3-yl]ethanone
SMILESCC(=O)[C@@]1(F)CNC2(CCCC2)C1
InChIInChI=1S/C10H16FNO/c1-8(13)10(11)6-9(12-7-10)4-2-3-5-9/h12H,2-7H2,1H3/t10-/m0/s1
InChIKeyAGZUCBAYKMIMPN-JTQLQIEISA-N
MW185.24 g/mol
LogP1.59
Rot. Bonds1

About 1-[(3S)-3-fluoro-1-azaspiro[4.4]nonan-3-yl]ethanone

1-[(3S)-3-fluoro-1-azaspiro[4.4]nonan-3-yl]ethanone (PubChem CID 177059672) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is 1-[(3S)-3-fluoro-1-azaspiro[4.4]nonan-3-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-fluoro-1-azaspiro[4.4]nonan-3-yl]ethanone
PubChem CID177059672
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name1-[(3S)-3-fluoro-1-azaspiro[4.4]nonan-3-yl]ethanone
SMILESCC(=O)[C@@]1(F)CNC2(CCCC2)C1
InChIInChI=1S/C10H16FNO/c1-8(13)10(11)6-9(12-7-10)4-2-3-5-9/h12H,2-7H2,1H3/t10-/m0/s1
InChIKeyAGZUCBAYKMIMPN-JTQLQIEISA-N
XLogP1.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-fluoro-1-azaspiro[4.4]nonan-3-yl]ethanone?
The IUPAC name of 1-[(3S)-3-fluoro-1-azaspiro[4.4]nonan-3-yl]ethanone (CID 177059672) is 1-[(3S)-3-fluoro-1-azaspiro[4.4]nonan-3-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-fluoro-1-azaspiro[4.4]nonan-3-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-fluoro-1-azaspiro[4.4]nonan-3-yl]ethanone is CC(=O)[C@@]1(F)CNC2(CCCC2)C1.
What is the InChIKey of 1-[(3S)-3-fluoro-1-azaspiro[4.4]nonan-3-yl]ethanone?
The InChIKey is AGZUCBAYKMIMPN-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16FNO/c1-8(13)10(11)6-9(12-7-10)4-2-3-5-9/h12H,2-7H2,1H3/t10-/m0/s1.
What are the key properties of 1-[(3S)-3-fluoro-1-azaspiro[4.4]nonan-3-yl]ethanone?
1-[(3S)-3-fluoro-1-azaspiro[4.4]nonan-3-yl]ethanone has a molecular weight of 185.24 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-fluoro-1-azaspiro[4.4]nonan-3-yl]ethanone is sourced from PubChem (CID 177059672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).