[(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl] 2,2,2-trifluoroacetate

C8H10F3NO3 — CID 146273110

IUPAC[(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl] 2,2,2-trifluoroacetate
SMILESO=C(O[C@@H]1COC2(CNC2)C1)C(F)(F)F
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)6(13)15-5-1-7(14-2-5)3-12-4-7/h5,12H,1-4H2/t5-/m0/s1
InChIKeyIYORXVAVJZJFBJ-YFKPBYRVSA-N
MW225.17 g/mol
LogP0.22
Rot. Bonds1

About [(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl] 2,2,2-trifluoroacetate

[(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl] 2,2,2-trifluoroacetate (PubChem CID 146273110) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is [(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl] 2,2,2-trifluoroacetate
PubChem CID146273110
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Name[(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl] 2,2,2-trifluoroacetate
SMILESO=C(O[C@@H]1COC2(CNC2)C1)C(F)(F)F
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)6(13)15-5-1-7(14-2-5)3-12-4-7/h5,12H,1-4H2/t5-/m0/s1
InChIKeyIYORXVAVJZJFBJ-YFKPBYRVSA-N
XLogP0.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl] 2,2,2-trifluoroacetate (CID 146273110) is [(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl] 2,2,2-trifluoroacetate is O=C(O[C@@H]1COC2(CNC2)C1)C(F)(F)F.
What is the InChIKey of [(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl] 2,2,2-trifluoroacetate?
The InChIKey is IYORXVAVJZJFBJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10F3NO3/c9-8(10,11)6(13)15-5-1-7(14-2-5)3-12-4-7/h5,12H,1-4H2/t5-/m0/s1.
What are the key properties of [(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl] 2,2,2-trifluoroacetate?
[(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl] 2,2,2-trifluoroacetate has a molecular weight of 225.17 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-5-oxa-2-azaspiro[3.4]octan-7-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 146273110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).