5-fluoro-9-thia-1-azaspiro[5.5]undecane

C9H16FNS — CID 115017932

IUPAC5-fluoro-9-thia-1-azaspiro[5.5]undecane
SMILESFC1CCCNC12CCSCC2
InChIInChI=1S/C9H16FNS/c10-8-2-1-5-11-9(8)3-6-12-7-4-9/h8,11H,1-7H2
InChIKeyPTBJIJQOVUEQJW-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.97
Rot. Bonds

About 5-fluoro-9-thia-1-azaspiro[5.5]undecane

5-fluoro-9-thia-1-azaspiro[5.5]undecane (PubChem CID 115017932) has the molecular formula C9H16FNS and a molecular weight of 189.30 g/mol. Its IUPAC name is 5-fluoro-9-thia-1-azaspiro[5.5]undecane.

Molecular Properties

Compound Name5-fluoro-9-thia-1-azaspiro[5.5]undecane
PubChem CID115017932
Molecular FormulaC9H16FNS
Molecular Weight189.30 g/mol
Exact Mass189.10
IUPAC Name5-fluoro-9-thia-1-azaspiro[5.5]undecane
SMILESFC1CCCNC12CCSCC2
InChIInChI=1S/C9H16FNS/c10-8-2-1-5-11-9(8)3-6-12-7-4-9/h8,11H,1-7H2
InChIKeyPTBJIJQOVUEQJW-UHFFFAOYSA-N
XLogP1.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-9-thia-1-azaspiro[5.5]undecane?
The IUPAC name of 5-fluoro-9-thia-1-azaspiro[5.5]undecane (CID 115017932) is 5-fluoro-9-thia-1-azaspiro[5.5]undecane.
What is the SMILES notation for 5-fluoro-9-thia-1-azaspiro[5.5]undecane?
The canonical SMILES for 5-fluoro-9-thia-1-azaspiro[5.5]undecane is FC1CCCNC12CCSCC2.
What is the InChIKey of 5-fluoro-9-thia-1-azaspiro[5.5]undecane?
The InChIKey is PTBJIJQOVUEQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNS/c10-8-2-1-5-11-9(8)3-6-12-7-4-9/h8,11H,1-7H2.
What are the key properties of 5-fluoro-9-thia-1-azaspiro[5.5]undecane?
5-fluoro-9-thia-1-azaspiro[5.5]undecane has a molecular weight of 189.30 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-9-thia-1-azaspiro[5.5]undecane is sourced from PubChem (CID 115017932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).