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

C11H18F3NO2 — CID 145025742

IUPACethane;2,2,2-trifluoro-1-(6-methyl-5-oxa-7-azaspiro[2.5]octan-7-yl)ethanone
SMILESCC.CC1OCC2(CC2)CN1C(=O)C(F)(F)F
InChIInChI=1S/C9H12F3NO2.C2H6/c1-6-13(7(14)9(10,11)12)4-8(2-3-8)5-15-6;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeyLJNZOIHEHYYZAD-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.56
Rot. Bonds

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

ethane;2,2,2-trifluoro-1-(6-methyl-5-oxa-7-azaspiro[2.5]octan-7-yl)ethanone (PubChem CID 145025742) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is ethane;2,2,2-trifluoro-1-(6-methyl-5-oxa-7-azaspiro[2.5]octan-7-yl)ethanone.

Molecular Properties

Compound Nameethane;2,2,2-trifluoro-1-(6-methyl-5-oxa-7-azaspiro[2.5]octan-7-yl)ethanone
PubChem CID145025742
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Nameethane;2,2,2-trifluoro-1-(6-methyl-5-oxa-7-azaspiro[2.5]octan-7-yl)ethanone
SMILESCC.CC1OCC2(CC2)CN1C(=O)C(F)(F)F
InChIInChI=1S/C9H12F3NO2.C2H6/c1-6-13(7(14)9(10,11)12)4-8(2-3-8)5-15-6;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeyLJNZOIHEHYYZAD-UHFFFAOYSA-N
XLogP2.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-Trifluoro-1-(6-methyl-5-oxa-7-azaspiro[2.5]octan-7-yl)ethanone
CID 118909980
1-(6-Tert-butyl-5-oxa-7-azaspiro[2.5]octan-7-yl)-2,2,2-trifluoroethanone
CID 121277849
1-(Methoxymethyl)-1-(trifluoromethyl)cyclopropane;1-piperidin-1-ylbutan-1-one
CID 164604055
1-[4-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone
CID 172588282
1-[4-[[1-(Ethoxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone
CID 172348384

Frequently Asked Questions

What is the IUPAC name of ethane;2,2,2-trifluoro-1-(6-methyl-5-oxa-7-azaspiro[2.5]octan-7-yl)ethanone?
The IUPAC name of ethane;2,2,2-trifluoro-1-(6-methyl-5-oxa-7-azaspiro[2.5]octan-7-yl)ethanone (CID 145025742) is ethane;2,2,2-trifluoro-1-(6-methyl-5-oxa-7-azaspiro[2.5]octan-7-yl)ethanone.
What is the SMILES notation for ethane;2,2,2-trifluoro-1-(6-methyl-5-oxa-7-azaspiro[2.5]octan-7-yl)ethanone?
The canonical SMILES for ethane;2,2,2-trifluoro-1-(6-methyl-5-oxa-7-azaspiro[2.5]octan-7-yl)ethanone is CC.CC1OCC2(CC2)CN1C(=O)C(F)(F)F.
What is the InChIKey of ethane;2,2,2-trifluoro-1-(6-methyl-5-oxa-7-azaspiro[2.5]octan-7-yl)ethanone?
The InChIKey is LJNZOIHEHYYZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2.C2H6/c1-6-13(7(14)9(10,11)12)4-8(2-3-8)5-15-6;1-2/h6H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;2,2,2-trifluoro-1-(6-methyl-5-oxa-7-azaspiro[2.5]octan-7-yl)ethanone?
ethane;2,2,2-trifluoro-1-(6-methyl-5-oxa-7-azaspiro[2.5]octan-7-yl)ethanone has a molecular weight of 253.26 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 ethane;2,2,2-trifluoro-1-(6-methyl-5-oxa-7-azaspiro[2.5]octan-7-yl)ethanone is sourced from PubChem (CID 145025742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).