2,2,2-trifluoro-N-[(5S)-2-oxa-7-azaspiro[3.4]octan-5-yl]acetamide

C8H11F3N2O2 — CID 97305493

IUPAC2,2,2-trifluoro-N-[(5S)-2-oxa-7-azaspiro[3.4]octan-5-yl]acetamide
SMILESO=C(N[C@@H]1CNCC12COC2)C(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c9-8(10,11)6(14)13-5-1-12-2-7(5)3-15-4-7/h5,12H,1-4H2,(H,13,14)/t5-/m1/s1
InChIKeyNZOYVYYUOWPHHX-RXMQYKEDSA-N
MW224.18 g/mol
LogP-0.35
Rot. Bonds1

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

2,2,2-trifluoro-N-[(5S)-2-oxa-7-azaspiro[3.4]octan-5-yl]acetamide (PubChem CID 97305493) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(5S)-2-oxa-7-azaspiro[3.4]octan-5-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(5S)-2-oxa-7-azaspiro[3.4]octan-5-yl]acetamide
PubChem CID97305493
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Name2,2,2-trifluoro-N-[(5S)-2-oxa-7-azaspiro[3.4]octan-5-yl]acetamide
SMILESO=C(N[C@@H]1CNCC12COC2)C(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c9-8(10,11)6(14)13-5-1-12-2-7(5)3-15-4-7/h5,12H,1-4H2,(H,13,14)/t5-/m1/s1
InChIKeyNZOYVYYUOWPHHX-RXMQYKEDSA-N
XLogP-0.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-[(5S)-2-oxa-7-azaspiro[3.4]octan-5-yl]acetamide with MolForge

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Related Compounds

N-(5-azaspiro[2.4]heptan-7-yl)-2,2,2-trifluoroacetamide;hydrochloride
CID 19429317
2-azaspiro[4.4]nonan-4-ylcarbamic acid
CID 118173842
(5R,9R)-2-oxa-7-azaspiro[4.4]nonane-9-carboxylic acid
CID 95255158
2,2,2-trifluoro-N-[(2S)-2-methylazetidin-3-yl]acetamide
CID 162581118
5-azaspiro[2.3]hexane-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 155822908
sulfane;2,2,2-trifluoro-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 161088064
2,2,2-trifluoro-N-[(3S,4R)-2,2,6,6-tetramethyl-3-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]acetamide
CID 1114902
2,2,2-trifluoro-N-[(3R,4S)-4-methoxypyrrolidin-3-yl]acetamide
CID 130773345
2,2,2-trifluoro-N-[(3S,4R)-4-methoxypyrrolidin-3-yl]acetamide
CID 130816451
2,2,2-trifluoro-1-(6-oxa-3-azabicyclo[3.2.1]octan-1-yl)ethanone
CID 141418525
6-oxa-2-azaspiro[3.4]octane-8-carboxylic acid
CID 155893861
[(3S,4S)-4-hydroxy-4-methylpyrrolidin-3-yl]carbamic acid
CID 146268670

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(5S)-2-oxa-7-azaspiro[3.4]octan-5-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(5S)-2-oxa-7-azaspiro[3.4]octan-5-yl]acetamide (CID 97305493) is 2,2,2-trifluoro-N-[(5S)-2-oxa-7-azaspiro[3.4]octan-5-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(5S)-2-oxa-7-azaspiro[3.4]octan-5-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(5S)-2-oxa-7-azaspiro[3.4]octan-5-yl]acetamide is O=C(N[C@@H]1CNCC12COC2)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(5S)-2-oxa-7-azaspiro[3.4]octan-5-yl]acetamide?
The InChIKey is NZOYVYYUOWPHHX-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c9-8(10,11)6(14)13-5-1-12-2-7(5)3-15-4-7/h5,12H,1-4H2,(H,13,14)/t5-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(5S)-2-oxa-7-azaspiro[3.4]octan-5-yl]acetamide?
2,2,2-trifluoro-N-[(5S)-2-oxa-7-azaspiro[3.4]octan-5-yl]acetamide has a molecular weight of 224.18 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(5S)-2-oxa-7-azaspiro[3.4]octan-5-yl]acetamide is sourced from PubChem (CID 97305493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).