4-(fluoromethyl)-1-thia-8-azaspiro[4.5]decane

C9H16FNS — CID 71306178

IUPAC4-(fluoromethyl)-1-thia-8-azaspiro[4.5]decane
SMILESFCC1CCSC12CCNCC2
InChIInChI=1S/C9H16FNS/c10-7-8-1-6-12-9(8)2-4-11-5-3-9/h8,11H,1-7H2
InChIKeyJHMWCKQSWVIQAZ-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.83
Rot. Bonds1

About 4-(fluoromethyl)-1-thia-8-azaspiro[4.5]decane

4-(fluoromethyl)-1-thia-8-azaspiro[4.5]decane (PubChem CID 71306178) has the molecular formula C9H16FNS and a molecular weight of 189.30 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-thia-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name4-(fluoromethyl)-1-thia-8-azaspiro[4.5]decane
PubChem CID71306178
Molecular FormulaC9H16FNS
Molecular Weight189.30 g/mol
Exact Mass189.10
IUPAC Name4-(fluoromethyl)-1-thia-8-azaspiro[4.5]decane
SMILESFCC1CCSC12CCNCC2
InChIInChI=1S/C9H16FNS/c10-7-8-1-6-12-9(8)2-4-11-5-3-9/h8,11H,1-7H2
InChIKeyJHMWCKQSWVIQAZ-UHFFFAOYSA-N
XLogP1.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-thia-8-azaspiro[4.5]decane?
The IUPAC name of 4-(fluoromethyl)-1-thia-8-azaspiro[4.5]decane (CID 71306178) is 4-(fluoromethyl)-1-thia-8-azaspiro[4.5]decane.
What is the SMILES notation for 4-(fluoromethyl)-1-thia-8-azaspiro[4.5]decane?
The canonical SMILES for 4-(fluoromethyl)-1-thia-8-azaspiro[4.5]decane is FCC1CCSC12CCNCC2.
What is the InChIKey of 4-(fluoromethyl)-1-thia-8-azaspiro[4.5]decane?
The InChIKey is JHMWCKQSWVIQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNS/c10-7-8-1-6-12-9(8)2-4-11-5-3-9/h8,11H,1-7H2.
What are the key properties of 4-(fluoromethyl)-1-thia-8-azaspiro[4.5]decane?
4-(fluoromethyl)-1-thia-8-azaspiro[4.5]decane has a molecular weight of 189.30 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-thia-8-azaspiro[4.5]decane is sourced from PubChem (CID 71306178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).