3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one

C11H15F3O2S — CID 79913832

IUPAC3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one
SMILESO=C(CC(F)(F)F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C11H15F3O2S/c12-11(13,14)6-9(15)8-1-3-16-10(5-8)2-4-17-7-10/h8H,1-7H2
InChIKeyIHCJGDJIZOXEJL-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.81
Rot. Bonds2

About 3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one

3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one (PubChem CID 79913832) has the molecular formula C11H15F3O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one
PubChem CID79913832
Molecular FormulaC11H15F3O2S
Molecular Weight268.30 g/mol
Exact Mass268.07
IUPAC Name3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one
SMILESO=C(CC(F)(F)F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C11H15F3O2S/c12-11(13,14)6-9(15)8-1-3-16-10(5-8)2-4-17-7-10/h8H,1-7H2
InChIKeyIHCJGDJIZOXEJL-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one (CID 79913832) is 3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one is O=C(CC(F)(F)F)C1CCOC2(CCSC2)C1.
What is the InChIKey of 3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one?
The InChIKey is IHCJGDJIZOXEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O2S/c12-11(13,14)6-9(15)8-1-3-16-10(5-8)2-4-17-7-10/h8H,1-7H2.
What are the key properties of 3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one?
3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one has a molecular weight of 268.30 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one is sourced from PubChem (CID 79913832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).