2-fluoro-6-thia-2-azaspiro[4.5]decane

C8H14FNS — CID 142603628

IUPAC2-fluoro-6-thia-2-azaspiro[4.5]decane
SMILESFN1CCC2(CCCCS2)C1
InChIInChI=1S/C8H14FNS/c9-10-5-4-8(7-10)3-1-2-6-11-8/h1-7H2
InChIKeyXEFSJYFGYCGDLP-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.23
Rot. Bonds

About 2-fluoro-6-thia-2-azaspiro[4.5]decane

2-fluoro-6-thia-2-azaspiro[4.5]decane (PubChem CID 142603628) has the molecular formula C8H14FNS and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-fluoro-6-thia-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-fluoro-6-thia-2-azaspiro[4.5]decane
PubChem CID142603628
Molecular FormulaC8H14FNS
Molecular Weight175.27 g/mol
Exact Mass175.08
IUPAC Name2-fluoro-6-thia-2-azaspiro[4.5]decane
SMILESFN1CCC2(CCCCS2)C1
InChIInChI=1S/C8H14FNS/c9-10-5-4-8(7-10)3-1-2-6-11-8/h1-7H2
InChIKeyXEFSJYFGYCGDLP-UHFFFAOYSA-N
XLogP2.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2,8-Dimethyl-1-thia-8-azaspiro[4.5]decane
CID 58516172
6-Thia-2-azaspiro[4.5]decane
CID 105430848
Ethane;2-methyl-6-thia-2-azaspiro[4.5]decane
CID 145416360
2-Methyl-6-thia-2-azaspiro[4.5]decane
CID 82411960

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-thia-2-azaspiro[4.5]decane?
The IUPAC name of 2-fluoro-6-thia-2-azaspiro[4.5]decane (CID 142603628) is 2-fluoro-6-thia-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-fluoro-6-thia-2-azaspiro[4.5]decane?
The canonical SMILES for 2-fluoro-6-thia-2-azaspiro[4.5]decane is FN1CCC2(CCCCS2)C1.
What is the InChIKey of 2-fluoro-6-thia-2-azaspiro[4.5]decane?
The InChIKey is XEFSJYFGYCGDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNS/c9-10-5-4-8(7-10)3-1-2-6-11-8/h1-7H2.
What are the key properties of 2-fluoro-6-thia-2-azaspiro[4.5]decane?
2-fluoro-6-thia-2-azaspiro[4.5]decane has a molecular weight of 175.27 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-thia-2-azaspiro[4.5]decane is sourced from PubChem (CID 142603628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).