(6-hydroxy-2-azaspiro[3.3]heptan-3-yl) 2,2,2-trifluoroacetate

C8H10F3NO3 — CID 162512096

IUPAC(6-hydroxy-2-azaspiro[3.3]heptan-3-yl) 2,2,2-trifluoroacetate
SMILESO=C(OC1NCC12CC(O)C2)C(F)(F)F
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)6(14)15-5-7(3-12-5)1-4(13)2-7/h4-5,12-13H,1-3H2
InChIKeyKLQUTWYKJBBTNG-UHFFFAOYSA-N
MW225.17 g/mol
LogP0.16
Rot. Bonds1

About (6-hydroxy-2-azaspiro[3.3]heptan-3-yl) 2,2,2-trifluoroacetate

(6-hydroxy-2-azaspiro[3.3]heptan-3-yl) 2,2,2-trifluoroacetate (PubChem CID 162512096) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is (6-hydroxy-2-azaspiro[3.3]heptan-3-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(6-hydroxy-2-azaspiro[3.3]heptan-3-yl) 2,2,2-trifluoroacetate
PubChem CID162512096
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Name(6-hydroxy-2-azaspiro[3.3]heptan-3-yl) 2,2,2-trifluoroacetate
SMILESO=C(OC1NCC12CC(O)C2)C(F)(F)F
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)6(14)15-5-7(3-12-5)1-4(13)2-7/h4-5,12-13H,1-3H2
InChIKeyKLQUTWYKJBBTNG-UHFFFAOYSA-N
XLogP0.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2,2,2-trifluoroacetyl)oxy-2-azaspiro[3.3]heptane-6-carboxylate
CID 155026879
(7-oxo-2-azaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate
CID 156785945
[7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonan-3-yl] 2,2,2-trifluoroacetate
CID 140853686
(7-methyl-5-oxa-2-azaspiro[3.4]octan-3-yl) 2,2,2-trifluoroacetate
CID 146272684
[(7S)-7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octan-3-yl] 2,2,2-trifluoroacetate
CID 146272662
(6-phenyl-2-azaspiro[3.3]hept-6-en-3-yl) 2,2,2-trifluoroacetate
CID 146220546
6-azaspiro[3.4]octan-2-yl 2,2,2-trifluoroacetate
CID 155670355
5-oxa-2-azaspiro[3.4]octan-7-yl 2,2,2-trifluoroacetate
CID 156635663
[1-[(2R)-4,4-difluoropyrrolidin-2-yl]-1-hydroxyethyl] 2,2,2-trifluoroacetate
CID 140765998
bis(7-oxa-2-azaspiro[3.5]nonan-3-yl) oxalate
CID 118644792
(2S,4R)-4-(2,2,2-trifluoroacetyl)oxypiperidine-2-carboxylic acid
CID 134586830
[(2S)-2-(dimethylcarbamoyl)-4-hydroxypyrrolidin-3-yl] 2,2,2-trifluoroacetate
CID 67428103

Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-2-azaspiro[3.3]heptan-3-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (6-hydroxy-2-azaspiro[3.3]heptan-3-yl) 2,2,2-trifluoroacetate (CID 162512096) is (6-hydroxy-2-azaspiro[3.3]heptan-3-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (6-hydroxy-2-azaspiro[3.3]heptan-3-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (6-hydroxy-2-azaspiro[3.3]heptan-3-yl) 2,2,2-trifluoroacetate is O=C(OC1NCC12CC(O)C2)C(F)(F)F.
What is the InChIKey of (6-hydroxy-2-azaspiro[3.3]heptan-3-yl) 2,2,2-trifluoroacetate?
The InChIKey is KLQUTWYKJBBTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO3/c9-8(10,11)6(14)15-5-7(3-12-5)1-4(13)2-7/h4-5,12-13H,1-3H2.
What are the key properties of (6-hydroxy-2-azaspiro[3.3]heptan-3-yl) 2,2,2-trifluoroacetate?
(6-hydroxy-2-azaspiro[3.3]heptan-3-yl) 2,2,2-trifluoroacetate has a molecular weight of 225.17 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-2-azaspiro[3.3]heptan-3-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 162512096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).