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

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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).