2,2,2-trifluoro-1-(6-methyl-5-oxa-7-azaspiro[2.5]octan-7-yl)ethanone

C9H12F3NO2 — CID 118909980

IUPAC2,2,2-trifluoro-1-(6-methyl-5-oxa-7-azaspiro[2.5]octan-7-yl)ethanone
SMILESCC1OCC2(CC2)CN1C(=O)C(F)(F)F
InChIInChI=1S/C9H12F3NO2/c1-6-13(7(14)9(10,11)12)4-8(2-3-8)5-15-6/h6H,2-5H2,1H3
InChIKeyKXSYHOZRUQYVOS-UHFFFAOYSA-N
MW223.19 g/mol
LogP1.53
Rot. Bonds

About 2,2,2-trifluoro-1-(6-methyl-5-oxa-7-azaspiro[2.5]octan-7-yl)ethanone

2,2,2-trifluoro-1-(6-methyl-5-oxa-7-azaspiro[2.5]octan-7-yl)ethanone (PubChem CID 118909980) has the molecular formula C9H12F3NO2 and a molecular weight of 223.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(6-methyl-5-oxa-7-azaspiro[2.5]octan-7-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(6-methyl-5-oxa-7-azaspiro[2.5]octan-7-yl)ethanone
PubChem CID118909980
Molecular FormulaC9H12F3NO2
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC Name2,2,2-trifluoro-1-(6-methyl-5-oxa-7-azaspiro[2.5]octan-7-yl)ethanone
SMILESCC1OCC2(CC2)CN1C(=O)C(F)(F)F
InChIInChI=1S/C9H12F3NO2/c1-6-13(7(14)9(10,11)12)4-8(2-3-8)5-15-6/h6H,2-5H2,1H3
InChIKeyKXSYHOZRUQYVOS-UHFFFAOYSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(6-methyl-5-oxa-7-azaspiro[2.5]octan-7-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(6-methyl-5-oxa-7-azaspiro[2.5]octan-7-yl)ethanone (CID 118909980) is 2,2,2-trifluoro-1-(6-methyl-5-oxa-7-azaspiro[2.5]octan-7-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(6-methyl-5-oxa-7-azaspiro[2.5]octan-7-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(6-methyl-5-oxa-7-azaspiro[2.5]octan-7-yl)ethanone is CC1OCC2(CC2)CN1C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(6-methyl-5-oxa-7-azaspiro[2.5]octan-7-yl)ethanone?
The InChIKey is KXSYHOZRUQYVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2/c1-6-13(7(14)9(10,11)12)4-8(2-3-8)5-15-6/h6H,2-5H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(6-methyl-5-oxa-7-azaspiro[2.5]octan-7-yl)ethanone?
2,2,2-trifluoro-1-(6-methyl-5-oxa-7-azaspiro[2.5]octan-7-yl)ethanone has a molecular weight of 223.19 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(6-methyl-5-oxa-7-azaspiro[2.5]octan-7-yl)ethanone is sourced from PubChem (CID 118909980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).