(7-oxo-2-azaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate

C10H12F3NO3 — CID 156785945

IUPAC(7-oxo-2-azaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate
SMILESO=C1CCC2(CC1)CNC2OC(=O)C(F)(F)F
InChIInChI=1S/C10H12F3NO3/c11-10(12,13)8(16)17-7-9(5-14-7)3-1-6(15)2-4-9/h7,14H,1-5H2
InChIKeyAUVLCIAXIFAKHE-UHFFFAOYSA-N
MW251.20 g/mol
LogP1.15
Rot. Bonds1

About (7-oxo-2-azaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate

(7-oxo-2-azaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate (PubChem CID 156785945) has the molecular formula C10H12F3NO3 and a molecular weight of 251.20 g/mol. Its IUPAC name is (7-oxo-2-azaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(7-oxo-2-azaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate
PubChem CID156785945
Molecular FormulaC10H12F3NO3
Molecular Weight251.20 g/mol
Exact Mass251.08
IUPAC Name(7-oxo-2-azaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate
SMILESO=C1CCC2(CC1)CNC2OC(=O)C(F)(F)F
InChIInChI=1S/C10H12F3NO3/c11-10(12,13)8(16)17-7-9(5-14-7)3-1-6(15)2-4-9/h7,14H,1-5H2
InChIKeyAUVLCIAXIFAKHE-UHFFFAOYSA-N
XLogP1.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-hydroxy-2-azaspiro[3.3]heptan-3-yl) 2,2,2-trifluoroacetate
CID 162512096
[7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonan-3-yl] 2,2,2-trifluoroacetate
CID 140853686
methyl 3-(2,2,2-trifluoroacetyl)oxy-2-azaspiro[3.3]heptane-6-carboxylate
CID 155026879
(6-phenyl-2-azaspiro[3.3]hept-6-en-3-yl) 2,2,2-trifluoroacetate
CID 146220546
(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
bis(7-oxa-2-azaspiro[3.5]nonan-3-yl) oxalate
CID 118644792
6-oxospiro[2.5]octane-2-carboxylic acid
CID 84653004
6-azaspiro[3.4]octan-2-yl 2,2,2-trifluoroacetate
CID 155670355
(2S,4R)-4-(2,2,2-trifluoroacetyl)oxypiperidine-2-carboxylic acid
CID 134586830
[4-(2,2,2-trifluoroacetyl)oxyspiro[4.5]decan-10-yl] 2,2,2-trifluoroacetate
CID 142690231
5-oxa-2-azaspiro[3.4]octan-7-yl 2,2,2-trifluoroacetate
CID 156635663

Frequently Asked Questions

What is the IUPAC name of (7-oxo-2-azaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (7-oxo-2-azaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate (CID 156785945) is (7-oxo-2-azaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (7-oxo-2-azaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (7-oxo-2-azaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate is O=C1CCC2(CC1)CNC2OC(=O)C(F)(F)F.
What is the InChIKey of (7-oxo-2-azaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate?
The InChIKey is AUVLCIAXIFAKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO3/c11-10(12,13)8(16)17-7-9(5-14-7)3-1-6(15)2-4-9/h7,14H,1-5H2.
What are the key properties of (7-oxo-2-azaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate?
(7-oxo-2-azaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate has a molecular weight of 251.20 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-oxo-2-azaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 156785945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).