7-fluoro-5-thia-2-azaspiro[3.4]octane;hydrochloride

C6H11ClFNS — CID 131664412

IUPAC7-fluoro-5-thia-2-azaspiro[3.4]octane;hydrochloride
SMILESCl.FC1CSC2(CNC2)C1
InChIInChI=1S/C6H10FNS.ClH/c7-5-1-6(9-2-5)3-8-4-6;/h5,8H,1-4H2;1H
InChIKeyIFQBDMAPGHCCKL-UHFFFAOYSA-N
MW183.68 g/mol
LogP1.23
Rot. Bonds

About 7-fluoro-5-thia-2-azaspiro[3.4]octane;hydrochloride

7-fluoro-5-thia-2-azaspiro[3.4]octane;hydrochloride (PubChem CID 131664412) has the molecular formula C6H11ClFNS and a molecular weight of 183.68 g/mol. Its IUPAC name is 7-fluoro-5-thia-2-azaspiro[3.4]octane;hydrochloride.

Molecular Properties

Compound Name7-fluoro-5-thia-2-azaspiro[3.4]octane;hydrochloride
PubChem CID131664412
Molecular FormulaC6H11ClFNS
Molecular Weight183.68 g/mol
Exact Mass183.03
IUPAC Name7-fluoro-5-thia-2-azaspiro[3.4]octane;hydrochloride
SMILESCl.FC1CSC2(CNC2)C1
InChIInChI=1S/C6H10FNS.ClH/c7-5-1-6(9-2-5)3-8-4-6;/h5,8H,1-4H2;1H
InChIKeyIFQBDMAPGHCCKL-UHFFFAOYSA-N
XLogP1.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-thia-2-azaspiro[3.4]octane;hydrochloride?
The IUPAC name of 7-fluoro-5-thia-2-azaspiro[3.4]octane;hydrochloride (CID 131664412) is 7-fluoro-5-thia-2-azaspiro[3.4]octane;hydrochloride.
What is the SMILES notation for 7-fluoro-5-thia-2-azaspiro[3.4]octane;hydrochloride?
The canonical SMILES for 7-fluoro-5-thia-2-azaspiro[3.4]octane;hydrochloride is Cl.FC1CSC2(CNC2)C1.
What is the InChIKey of 7-fluoro-5-thia-2-azaspiro[3.4]octane;hydrochloride?
The InChIKey is IFQBDMAPGHCCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNS.ClH/c7-5-1-6(9-2-5)3-8-4-6;/h5,8H,1-4H2;1H.
What are the key properties of 7-fluoro-5-thia-2-azaspiro[3.4]octane;hydrochloride?
7-fluoro-5-thia-2-azaspiro[3.4]octane;hydrochloride has a molecular weight of 183.68 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-thia-2-azaspiro[3.4]octane;hydrochloride is sourced from PubChem (CID 131664412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).