(7S)-5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid

C8H12F3NO4 — CID 146273108

IUPAC(7S)-5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O[C@@H]1COC2(CNC2)C1
InChIInChI=1S/C6H11NO2.C2HF3O2/c8-5-1-6(9-2-5)3-7-4-6;3-2(4,5)1(6)7/h5,7-8H,1-4H2;(H,6,7)/t5-;/m0./s1
InChIKeyOCAZADMEOGKOIK-JEDNCBNOSA-N
MW243.18 g/mol
LogP-0.26
Rot. Bonds

About (7S)-5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid

(7S)-5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid (PubChem CID 146273108) has the molecular formula C8H12F3NO4 and a molecular weight of 243.18 g/mol. Its IUPAC name is (7S)-5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(7S)-5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid
PubChem CID146273108
Molecular FormulaC8H12F3NO4
Molecular Weight243.18 g/mol
Exact Mass243.07
IUPAC Name(7S)-5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O[C@@H]1COC2(CNC2)C1
InChIInChI=1S/C6H11NO2.C2HF3O2/c8-5-1-6(9-2-5)3-7-4-6;3-2(4,5)1(6)7/h5,7-8H,1-4H2;(H,6,7)/t5-;/m0./s1
InChIKeyOCAZADMEOGKOIK-JEDNCBNOSA-N
XLogP-0.26
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
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-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of (7S)-5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid (CID 146273108) is (7S)-5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (7S)-5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for (7S)-5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O[C@@H]1COC2(CNC2)C1.
What is the InChIKey of (7S)-5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid?
The InChIKey is OCAZADMEOGKOIK-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H11NO2.C2HF3O2/c8-5-1-6(9-2-5)3-7-4-6;3-2(4,5)1(6)7/h5,7-8H,1-4H2;(H,6,7)/t5-;/m0./s1.
What are the key properties of (7S)-5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid?
(7S)-5-oxa-2-azaspiro[3.4]octan-7-ol;2,2,2-trifluoroacetic acid has a molecular weight of 243.18 g/mol, XLogP of -0.26, 0 rotatable bonds, 3 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-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146273108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).