4-(difluoromethyl)-1-thia-7-azaspiro[4.4]nonane

C8H13F2NS — CID 71306166

IUPAC4-(difluoromethyl)-1-thia-7-azaspiro[4.4]nonane
SMILESFC(F)C1CCSC12CCNC2
InChIInChI=1S/C8H13F2NS/c9-7(10)6-1-4-12-8(6)2-3-11-5-8/h6-7,11H,1-5H2
InChIKeyXYADVUCLKGFFQV-UHFFFAOYSA-N
MW193.26 g/mol
LogP1.74
Rot. Bonds1

About 4-(difluoromethyl)-1-thia-7-azaspiro[4.4]nonane

4-(difluoromethyl)-1-thia-7-azaspiro[4.4]nonane (PubChem CID 71306166) has the molecular formula C8H13F2NS and a molecular weight of 193.26 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-thia-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name4-(difluoromethyl)-1-thia-7-azaspiro[4.4]nonane
PubChem CID71306166
Molecular FormulaC8H13F2NS
Molecular Weight193.26 g/mol
Exact Mass193.07
IUPAC Name4-(difluoromethyl)-1-thia-7-azaspiro[4.4]nonane
SMILESFC(F)C1CCSC12CCNC2
InChIInChI=1S/C8H13F2NS/c9-7(10)6-1-4-12-8(6)2-3-11-5-8/h6-7,11H,1-5H2
InChIKeyXYADVUCLKGFFQV-UHFFFAOYSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-thia-7-azaspiro[4.4]nonane?
The IUPAC name of 4-(difluoromethyl)-1-thia-7-azaspiro[4.4]nonane (CID 71306166) is 4-(difluoromethyl)-1-thia-7-azaspiro[4.4]nonane.
What is the SMILES notation for 4-(difluoromethyl)-1-thia-7-azaspiro[4.4]nonane?
The canonical SMILES for 4-(difluoromethyl)-1-thia-7-azaspiro[4.4]nonane is FC(F)C1CCSC12CCNC2.
What is the InChIKey of 4-(difluoromethyl)-1-thia-7-azaspiro[4.4]nonane?
The InChIKey is XYADVUCLKGFFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NS/c9-7(10)6-1-4-12-8(6)2-3-11-5-8/h6-7,11H,1-5H2.
What are the key properties of 4-(difluoromethyl)-1-thia-7-azaspiro[4.4]nonane?
4-(difluoromethyl)-1-thia-7-azaspiro[4.4]nonane has a molecular weight of 193.26 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-thia-7-azaspiro[4.4]nonane is sourced from PubChem (CID 71306166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).