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

C9H16FNS — CID 115017931

IUPAC4-fluoro-9-thia-1-azaspiro[5.5]undecane
SMILESFC1CCNC2(CCSCC2)C1
InChIInChI=1S/C9H16FNS/c10-8-1-4-11-9(7-8)2-5-12-6-3-9/h8,11H,1-7H2
InChIKeyKEUZQAZYEZJCGB-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.97
Rot. Bonds

About 4-fluoro-9-thia-1-azaspiro[5.5]undecane

4-fluoro-9-thia-1-azaspiro[5.5]undecane (PubChem CID 115017931) has the molecular formula C9H16FNS and a molecular weight of 189.30 g/mol. Its IUPAC name is 4-fluoro-9-thia-1-azaspiro[5.5]undecane.

Molecular Properties

Compound Name4-fluoro-9-thia-1-azaspiro[5.5]undecane
PubChem CID115017931
Molecular FormulaC9H16FNS
Molecular Weight189.30 g/mol
Exact Mass189.10
IUPAC Name4-fluoro-9-thia-1-azaspiro[5.5]undecane
SMILESFC1CCNC2(CCSCC2)C1
InChIInChI=1S/C9H16FNS/c10-8-1-4-11-9(7-8)2-5-12-6-3-9/h8,11H,1-7H2
InChIKeyKEUZQAZYEZJCGB-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 4-fluoro-9-thia-1-azaspiro[5.5]undecane?
The IUPAC name of 4-fluoro-9-thia-1-azaspiro[5.5]undecane (CID 115017931) is 4-fluoro-9-thia-1-azaspiro[5.5]undecane.
What is the SMILES notation for 4-fluoro-9-thia-1-azaspiro[5.5]undecane?
The canonical SMILES for 4-fluoro-9-thia-1-azaspiro[5.5]undecane is FC1CCNC2(CCSCC2)C1.
What is the InChIKey of 4-fluoro-9-thia-1-azaspiro[5.5]undecane?
The InChIKey is KEUZQAZYEZJCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNS/c10-8-1-4-11-9(7-8)2-5-12-6-3-9/h8,11H,1-7H2.
What are the key properties of 4-fluoro-9-thia-1-azaspiro[5.5]undecane?
4-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 4-fluoro-9-thia-1-azaspiro[5.5]undecane is sourced from PubChem (CID 115017931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).