1-[(7S)-7-fluoro-5-azaspiro[3.4]octan-7-yl]ethanone

C9H14FNO — CID 177059344

IUPAC1-[(7S)-7-fluoro-5-azaspiro[3.4]octan-7-yl]ethanone
SMILESCC(=O)[C@@]1(F)CNC2(CCC2)C1
InChIInChI=1S/C9H14FNO/c1-7(12)9(10)5-8(11-6-9)3-2-4-8/h11H,2-6H2,1H3/t9-/m0/s1
InChIKeyLYNFIJYXSQFIQX-VIFPVBQESA-N
MW171.21 g/mol
LogP1.20
Rot. Bonds1

About 1-[(7S)-7-fluoro-5-azaspiro[3.4]octan-7-yl]ethanone

1-[(7S)-7-fluoro-5-azaspiro[3.4]octan-7-yl]ethanone (PubChem CID 177059344) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is 1-[(7S)-7-fluoro-5-azaspiro[3.4]octan-7-yl]ethanone.

Molecular Properties

Compound Name1-[(7S)-7-fluoro-5-azaspiro[3.4]octan-7-yl]ethanone
PubChem CID177059344
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Name1-[(7S)-7-fluoro-5-azaspiro[3.4]octan-7-yl]ethanone
SMILESCC(=O)[C@@]1(F)CNC2(CCC2)C1
InChIInChI=1S/C9H14FNO/c1-7(12)9(10)5-8(11-6-9)3-2-4-8/h11H,2-6H2,1H3/t9-/m0/s1
InChIKeyLYNFIJYXSQFIQX-VIFPVBQESA-N
XLogP1.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(7S)-7-fluoro-5-azaspiro[3.4]octan-7-yl]ethanone?
The IUPAC name of 1-[(7S)-7-fluoro-5-azaspiro[3.4]octan-7-yl]ethanone (CID 177059344) is 1-[(7S)-7-fluoro-5-azaspiro[3.4]octan-7-yl]ethanone.
What is the SMILES notation for 1-[(7S)-7-fluoro-5-azaspiro[3.4]octan-7-yl]ethanone?
The canonical SMILES for 1-[(7S)-7-fluoro-5-azaspiro[3.4]octan-7-yl]ethanone is CC(=O)[C@@]1(F)CNC2(CCC2)C1.
What is the InChIKey of 1-[(7S)-7-fluoro-5-azaspiro[3.4]octan-7-yl]ethanone?
The InChIKey is LYNFIJYXSQFIQX-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14FNO/c1-7(12)9(10)5-8(11-6-9)3-2-4-8/h11H,2-6H2,1H3/t9-/m0/s1.
What are the key properties of 1-[(7S)-7-fluoro-5-azaspiro[3.4]octan-7-yl]ethanone?
1-[(7S)-7-fluoro-5-azaspiro[3.4]octan-7-yl]ethanone has a molecular weight of 171.21 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7S)-7-fluoro-5-azaspiro[3.4]octan-7-yl]ethanone is sourced from PubChem (CID 177059344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).