1-(6,6-dioxo-6λ6-thia-2-azaspiro[3.4]octan-2-yl)-2,2,2-trifluoroethanone

C8H10F3NO3S — CID 164729653

IUPAC1-(6,6-dioxo-6λ6-thia-2-azaspiro[3.4]octan-2-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CC2(CCS(=O)(=O)C2)C1)C(F)(F)F
InChIInChI=1S/C8H10F3NO3S/c9-8(10,11)6(13)12-3-7(4-12)1-2-16(14,15)5-7/h1-5H2
InChIKeyZFBSJDITXVWLCS-UHFFFAOYSA-N
MW257.23 g/mol
LogP0.20
Rot. Bonds

About 1-(6,6-dioxo-6λ6-thia-2-azaspiro[3.4]octan-2-yl)-2,2,2-trifluoroethanone

1-(6,6-dioxo-6λ6-thia-2-azaspiro[3.4]octan-2-yl)-2,2,2-trifluoroethanone (PubChem CID 164729653) has the molecular formula C8H10F3NO3S and a molecular weight of 257.23 g/mol. Its IUPAC name is 1-(6,6-dioxo-6λ6-thia-2-azaspiro[3.4]octan-2-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(6,6-dioxo-6λ6-thia-2-azaspiro[3.4]octan-2-yl)-2,2,2-trifluoroethanone
PubChem CID164729653
Molecular FormulaC8H10F3NO3S
Molecular Weight257.23 g/mol
Exact Mass257.03
IUPAC Name1-(6,6-dioxo-6λ6-thia-2-azaspiro[3.4]octan-2-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CC2(CCS(=O)(=O)C2)C1)C(F)(F)F
InChIInChI=1S/C8H10F3NO3S/c9-8(10,11)6(13)12-3-7(4-12)1-2-16(14,15)5-7/h1-5H2
InChIKeyZFBSJDITXVWLCS-UHFFFAOYSA-N
XLogP0.20
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.23
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6,6-dioxo-6λ6-thia-2-azaspiro[3.4]octan-2-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(6,6-dioxo-6λ6-thia-2-azaspiro[3.4]octan-2-yl)-2,2,2-trifluoroethanone (CID 164729653) is 1-(6,6-dioxo-6λ6-thia-2-azaspiro[3.4]octan-2-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(6,6-dioxo-6λ6-thia-2-azaspiro[3.4]octan-2-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(6,6-dioxo-6λ6-thia-2-azaspiro[3.4]octan-2-yl)-2,2,2-trifluoroethanone is O=C(N1CC2(CCS(=O)(=O)C2)C1)C(F)(F)F.
What is the InChIKey of 1-(6,6-dioxo-6λ6-thia-2-azaspiro[3.4]octan-2-yl)-2,2,2-trifluoroethanone?
The InChIKey is ZFBSJDITXVWLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO3S/c9-8(10,11)6(13)12-3-7(4-12)1-2-16(14,15)5-7/h1-5H2.
What are the key properties of 1-(6,6-dioxo-6λ6-thia-2-azaspiro[3.4]octan-2-yl)-2,2,2-trifluoroethanone?
1-(6,6-dioxo-6λ6-thia-2-azaspiro[3.4]octan-2-yl)-2,2,2-trifluoroethanone has a molecular weight of 257.23 g/mol, XLogP of 0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-dioxo-6λ6-thia-2-azaspiro[3.4]octan-2-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 164729653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).