(5S,9S)-9-fluoro-1,3-diazaspiro[4.4]nonane-2,4-dione

C7H9FN2O2 — CID 46939003

IUPAC(5S,9S)-9-fluoro-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)[C@]2(CCC[C@@H]2F)N1
InChIInChI=1S/C7H9FN2O2/c8-4-2-1-3-7(4)5(11)9-6(12)10-7/h4H,1-3H2,(H2,9,10,11,12)/t4-,7+/m0/s1
InChIKeyBXJUDABRYKMTEP-MHTLYPKNSA-N
MW172.16 g/mol
LogP0.09
Rot. Bonds

About (5S,9S)-9-fluoro-1,3-diazaspiro[4.4]nonane-2,4-dione

(5S,9S)-9-fluoro-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 46939003) has the molecular formula C7H9FN2O2 and a molecular weight of 172.16 g/mol. Its IUPAC name is (5S,9S)-9-fluoro-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name(5S,9S)-9-fluoro-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID46939003
Molecular FormulaC7H9FN2O2
Molecular Weight172.16 g/mol
Exact Mass172.06
IUPAC Name(5S,9S)-9-fluoro-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)[C@]2(CCC[C@@H]2F)N1
InChIInChI=1S/C7H9FN2O2/c8-4-2-1-3-7(4)5(11)9-6(12)10-7/h4H,1-3H2,(H2,9,10,11,12)/t4-,7+/m0/s1
InChIKeyBXJUDABRYKMTEP-MHTLYPKNSA-N
XLogP0.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S,9S)-9-fluoro-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of (5S,9S)-9-fluoro-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 46939003) is (5S,9S)-9-fluoro-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for (5S,9S)-9-fluoro-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for (5S,9S)-9-fluoro-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC(=O)[C@]2(CCC[C@@H]2F)N1.
What is the InChIKey of (5S,9S)-9-fluoro-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is BXJUDABRYKMTEP-MHTLYPKNSA-N. The full InChI is InChI=1S/C7H9FN2O2/c8-4-2-1-3-7(4)5(11)9-6(12)10-7/h4H,1-3H2,(H2,9,10,11,12)/t4-,7+/m0/s1.
What are the key properties of (5S,9S)-9-fluoro-1,3-diazaspiro[4.4]nonane-2,4-dione?
(5S,9S)-9-fluoro-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 172.16 g/mol, XLogP of 0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-9-fluoro-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 46939003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).