3-fluoro-7-thia-1-azaspiro[4.4]nonane

C7H12FNS — CID 115012682

IUPAC3-fluoro-7-thia-1-azaspiro[4.4]nonane
SMILESFC1CNC2(CCSC2)C1
InChIInChI=1S/C7H12FNS/c8-6-3-7(9-4-6)1-2-10-5-7/h6,9H,1-5H2
InChIKeyPXXZNAIXYHNKDW-UHFFFAOYSA-N
MW161.24 g/mol
LogP1.19
Rot. Bonds

About 3-fluoro-7-thia-1-azaspiro[4.4]nonane

3-fluoro-7-thia-1-azaspiro[4.4]nonane (PubChem CID 115012682) has the molecular formula C7H12FNS and a molecular weight of 161.24 g/mol. Its IUPAC name is 3-fluoro-7-thia-1-azaspiro[4.4]nonane.

Molecular Properties

Compound Name3-fluoro-7-thia-1-azaspiro[4.4]nonane
PubChem CID115012682
Molecular FormulaC7H12FNS
Molecular Weight161.24 g/mol
Exact Mass161.07
IUPAC Name3-fluoro-7-thia-1-azaspiro[4.4]nonane
SMILESFC1CNC2(CCSC2)C1
InChIInChI=1S/C7H12FNS/c8-6-3-7(9-4-6)1-2-10-5-7/h6,9H,1-5H2
InChIKeyPXXZNAIXYHNKDW-UHFFFAOYSA-N
XLogP1.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-7-thia-1-azaspiro[4.4]nonane?
The IUPAC name of 3-fluoro-7-thia-1-azaspiro[4.4]nonane (CID 115012682) is 3-fluoro-7-thia-1-azaspiro[4.4]nonane.
What is the SMILES notation for 3-fluoro-7-thia-1-azaspiro[4.4]nonane?
The canonical SMILES for 3-fluoro-7-thia-1-azaspiro[4.4]nonane is FC1CNC2(CCSC2)C1.
What is the InChIKey of 3-fluoro-7-thia-1-azaspiro[4.4]nonane?
The InChIKey is PXXZNAIXYHNKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNS/c8-6-3-7(9-4-6)1-2-10-5-7/h6,9H,1-5H2.
What are the key properties of 3-fluoro-7-thia-1-azaspiro[4.4]nonane?
3-fluoro-7-thia-1-azaspiro[4.4]nonane has a molecular weight of 161.24 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-7-thia-1-azaspiro[4.4]nonane is sourced from PubChem (CID 115012682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).