8-fluoro-1-thia-4,8-diazaspiro[4.5]decane

C7H13FN2S — CID 142960298

IUPAC8-fluoro-1-thia-4,8-diazaspiro[4.5]decane
SMILESFN1CCC2(CC1)NCCS2
InChIInChI=1S/C7H13FN2S/c8-10-4-1-7(2-5-10)9-3-6-11-7/h9H,1-6H2
InChIKeyHUQBEUYOXZRLCL-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.00
Rot. Bonds

About 8-fluoro-1-thia-4,8-diazaspiro[4.5]decane

8-fluoro-1-thia-4,8-diazaspiro[4.5]decane (PubChem CID 142960298) has the molecular formula C7H13FN2S and a molecular weight of 176.26 g/mol. Its IUPAC name is 8-fluoro-1-thia-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-fluoro-1-thia-4,8-diazaspiro[4.5]decane
PubChem CID142960298
Molecular FormulaC7H13FN2S
Molecular Weight176.26 g/mol
Exact Mass176.08
IUPAC Name8-fluoro-1-thia-4,8-diazaspiro[4.5]decane
SMILESFN1CCC2(CC1)NCCS2
InChIInChI=1S/C7H13FN2S/c8-10-4-1-7(2-5-10)9-3-6-11-7/h9H,1-6H2
InChIKeyHUQBEUYOXZRLCL-UHFFFAOYSA-N
XLogP1.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-thia-4,8-diazaspiro[4.5]decane?
The IUPAC name of 8-fluoro-1-thia-4,8-diazaspiro[4.5]decane (CID 142960298) is 8-fluoro-1-thia-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-fluoro-1-thia-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-fluoro-1-thia-4,8-diazaspiro[4.5]decane is FN1CCC2(CC1)NCCS2.
What is the InChIKey of 8-fluoro-1-thia-4,8-diazaspiro[4.5]decane?
The InChIKey is HUQBEUYOXZRLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2S/c8-10-4-1-7(2-5-10)9-3-6-11-7/h9H,1-6H2.
What are the key properties of 8-fluoro-1-thia-4,8-diazaspiro[4.5]decane?
8-fluoro-1-thia-4,8-diazaspiro[4.5]decane has a molecular weight of 176.26 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-thia-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 142960298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).