8-(fluoromethyl)-5-thia-2-azaspiro[3.4]octane

C7H12FNS — CID 71306237

IUPAC8-(fluoromethyl)-5-thia-2-azaspiro[3.4]octane
SMILESFCC1CCSC12CNC2
InChIInChI=1S/C7H12FNS/c8-3-6-1-2-10-7(6)4-9-5-7/h6,9H,1-5H2
InChIKeyJIGQKFKQPZMPDH-UHFFFAOYSA-N
MW161.24 g/mol
LogP1.05
Rot. Bonds1

About 8-(fluoromethyl)-5-thia-2-azaspiro[3.4]octane

8-(fluoromethyl)-5-thia-2-azaspiro[3.4]octane (PubChem CID 71306237) has the molecular formula C7H12FNS and a molecular weight of 161.24 g/mol. Its IUPAC name is 8-(fluoromethyl)-5-thia-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name8-(fluoromethyl)-5-thia-2-azaspiro[3.4]octane
PubChem CID71306237
Molecular FormulaC7H12FNS
Molecular Weight161.24 g/mol
Exact Mass161.07
IUPAC Name8-(fluoromethyl)-5-thia-2-azaspiro[3.4]octane
SMILESFCC1CCSC12CNC2
InChIInChI=1S/C7H12FNS/c8-3-6-1-2-10-7(6)4-9-5-7/h6,9H,1-5H2
InChIKeyJIGQKFKQPZMPDH-UHFFFAOYSA-N
XLogP1.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(fluoromethyl)-5-thia-2-azaspiro[3.4]octane?
The IUPAC name of 8-(fluoromethyl)-5-thia-2-azaspiro[3.4]octane (CID 71306237) is 8-(fluoromethyl)-5-thia-2-azaspiro[3.4]octane.
What is the SMILES notation for 8-(fluoromethyl)-5-thia-2-azaspiro[3.4]octane?
The canonical SMILES for 8-(fluoromethyl)-5-thia-2-azaspiro[3.4]octane is FCC1CCSC12CNC2.
What is the InChIKey of 8-(fluoromethyl)-5-thia-2-azaspiro[3.4]octane?
The InChIKey is JIGQKFKQPZMPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNS/c8-3-6-1-2-10-7(6)4-9-5-7/h6,9H,1-5H2.
What are the key properties of 8-(fluoromethyl)-5-thia-2-azaspiro[3.4]octane?
8-(fluoromethyl)-5-thia-2-azaspiro[3.4]octane has a molecular weight of 161.24 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(fluoromethyl)-5-thia-2-azaspiro[3.4]octane is sourced from PubChem (CID 71306237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).