4-fluoro-8-thia-1-azaspiro[4.5]decane

C8H14FNS — CID 115014560

IUPAC4-fluoro-8-thia-1-azaspiro[4.5]decane
SMILESFC1CCNC12CCSCC2
InChIInChI=1S/C8H14FNS/c9-7-1-4-10-8(7)2-5-11-6-3-8/h7,10H,1-6H2
InChIKeyIHSCFWRTOURSIT-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.58
Rot. Bonds

About 4-fluoro-8-thia-1-azaspiro[4.5]decane

4-fluoro-8-thia-1-azaspiro[4.5]decane (PubChem CID 115014560) has the molecular formula C8H14FNS and a molecular weight of 175.27 g/mol. Its IUPAC name is 4-fluoro-8-thia-1-azaspiro[4.5]decane.

Molecular Properties

Compound Name4-fluoro-8-thia-1-azaspiro[4.5]decane
PubChem CID115014560
Molecular FormulaC8H14FNS
Molecular Weight175.27 g/mol
Exact Mass175.08
IUPAC Name4-fluoro-8-thia-1-azaspiro[4.5]decane
SMILESFC1CCNC12CCSCC2
InChIInChI=1S/C8H14FNS/c9-7-1-4-10-8(7)2-5-11-6-3-8/h7,10H,1-6H2
InChIKeyIHSCFWRTOURSIT-UHFFFAOYSA-N
XLogP1.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-8-thia-1-azaspiro[4.5]decane?
The IUPAC name of 4-fluoro-8-thia-1-azaspiro[4.5]decane (CID 115014560) is 4-fluoro-8-thia-1-azaspiro[4.5]decane.
What is the SMILES notation for 4-fluoro-8-thia-1-azaspiro[4.5]decane?
The canonical SMILES for 4-fluoro-8-thia-1-azaspiro[4.5]decane is FC1CCNC12CCSCC2.
What is the InChIKey of 4-fluoro-8-thia-1-azaspiro[4.5]decane?
The InChIKey is IHSCFWRTOURSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNS/c9-7-1-4-10-8(7)2-5-11-6-3-8/h7,10H,1-6H2.
What are the key properties of 4-fluoro-8-thia-1-azaspiro[4.5]decane?
4-fluoro-8-thia-1-azaspiro[4.5]decane has a molecular weight of 175.27 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-8-thia-1-azaspiro[4.5]decane is sourced from PubChem (CID 115014560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).