1-(6-tert-butyl-5-oxa-7-azaspiro[2.5]octan-7-yl)-2,2,2-trifluoroethanone

C12H18F3NO2 — CID 121277849

IUPAC1-(6-tert-butyl-5-oxa-7-azaspiro[2.5]octan-7-yl)-2,2,2-trifluoroethanone
SMILESCC(C)(C)C1OCC2(CC2)CN1C(=O)C(F)(F)F
InChIInChI=1S/C12H18F3NO2/c1-10(2,3)9-16(8(17)12(13,14)15)6-11(4-5-11)7-18-9/h9H,4-7H2,1-3H3
InChIKeyBYQIJMBPAZXECX-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.56
Rot. Bonds

About 1-(6-tert-butyl-5-oxa-7-azaspiro[2.5]octan-7-yl)-2,2,2-trifluoroethanone

1-(6-tert-butyl-5-oxa-7-azaspiro[2.5]octan-7-yl)-2,2,2-trifluoroethanone (PubChem CID 121277849) has the molecular formula C12H18F3NO2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1-(6-tert-butyl-5-oxa-7-azaspiro[2.5]octan-7-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(6-tert-butyl-5-oxa-7-azaspiro[2.5]octan-7-yl)-2,2,2-trifluoroethanone
PubChem CID121277849
Molecular FormulaC12H18F3NO2
Molecular Weight265.27 g/mol
Exact Mass265.13
IUPAC Name1-(6-tert-butyl-5-oxa-7-azaspiro[2.5]octan-7-yl)-2,2,2-trifluoroethanone
SMILESCC(C)(C)C1OCC2(CC2)CN1C(=O)C(F)(F)F
InChIInChI=1S/C12H18F3NO2/c1-10(2,3)9-16(8(17)12(13,14)15)6-11(4-5-11)7-18-9/h9H,4-7H2,1-3H3
InChIKeyBYQIJMBPAZXECX-UHFFFAOYSA-N
XLogP2.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butyl-5-oxa-7-azaspiro[2.5]octan-7-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(6-tert-butyl-5-oxa-7-azaspiro[2.5]octan-7-yl)-2,2,2-trifluoroethanone (CID 121277849) is 1-(6-tert-butyl-5-oxa-7-azaspiro[2.5]octan-7-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(6-tert-butyl-5-oxa-7-azaspiro[2.5]octan-7-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(6-tert-butyl-5-oxa-7-azaspiro[2.5]octan-7-yl)-2,2,2-trifluoroethanone is CC(C)(C)C1OCC2(CC2)CN1C(=O)C(F)(F)F.
What is the InChIKey of 1-(6-tert-butyl-5-oxa-7-azaspiro[2.5]octan-7-yl)-2,2,2-trifluoroethanone?
The InChIKey is BYQIJMBPAZXECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO2/c1-10(2,3)9-16(8(17)12(13,14)15)6-11(4-5-11)7-18-9/h9H,4-7H2,1-3H3.
What are the key properties of 1-(6-tert-butyl-5-oxa-7-azaspiro[2.5]octan-7-yl)-2,2,2-trifluoroethanone?
1-(6-tert-butyl-5-oxa-7-azaspiro[2.5]octan-7-yl)-2,2,2-trifluoroethanone has a molecular weight of 265.27 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butyl-5-oxa-7-azaspiro[2.5]octan-7-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 121277849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).