7,7-difluoro-5-thia-2-azaspiro[3.4]octane

C6H9F2NS — CID 121229875

IUPAC7,7-difluoro-5-thia-2-azaspiro[3.4]octane
SMILESFC1(F)CSC2(CNC2)C1
InChIInChI=1S/C6H9F2NS/c7-6(8)1-5(10-4-6)2-9-3-5/h9H,1-4H2
InChIKeyAWOFXEXDGHVZET-UHFFFAOYSA-N
MW165.21 g/mol
LogP1.10
Rot. Bonds

About 7,7-difluoro-5-thia-2-azaspiro[3.4]octane

7,7-difluoro-5-thia-2-azaspiro[3.4]octane (PubChem CID 121229875) has the molecular formula C6H9F2NS and a molecular weight of 165.21 g/mol. Its IUPAC name is 7,7-difluoro-5-thia-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name7,7-difluoro-5-thia-2-azaspiro[3.4]octane
PubChem CID121229875
Molecular FormulaC6H9F2NS
Molecular Weight165.21 g/mol
Exact Mass165.04
IUPAC Name7,7-difluoro-5-thia-2-azaspiro[3.4]octane
SMILESFC1(F)CSC2(CNC2)C1
InChIInChI=1S/C6H9F2NS/c7-6(8)1-5(10-4-6)2-9-3-5/h9H,1-4H2
InChIKeyAWOFXEXDGHVZET-UHFFFAOYSA-N
XLogP1.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-5-thia-2-azaspiro[3.4]octane?
The IUPAC name of 7,7-difluoro-5-thia-2-azaspiro[3.4]octane (CID 121229875) is 7,7-difluoro-5-thia-2-azaspiro[3.4]octane.
What is the SMILES notation for 7,7-difluoro-5-thia-2-azaspiro[3.4]octane?
The canonical SMILES for 7,7-difluoro-5-thia-2-azaspiro[3.4]octane is FC1(F)CSC2(CNC2)C1.
What is the InChIKey of 7,7-difluoro-5-thia-2-azaspiro[3.4]octane?
The InChIKey is AWOFXEXDGHVZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NS/c7-6(8)1-5(10-4-6)2-9-3-5/h9H,1-4H2.
What are the key properties of 7,7-difluoro-5-thia-2-azaspiro[3.4]octane?
7,7-difluoro-5-thia-2-azaspiro[3.4]octane has a molecular weight of 165.21 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-5-thia-2-azaspiro[3.4]octane is sourced from PubChem (CID 121229875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).