2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-4-azaspiro[2.5]octan-4-yl]ethanone

C10H13F4NO — CID 58542384

IUPAC2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-4-azaspiro[2.5]octan-4-yl]ethanone
SMILESO=C(N1C[C@H](CF)CCC12CC2)C(F)(F)F
InChIInChI=1S/C10H13F4NO/c11-5-7-1-2-9(3-4-9)15(6-7)8(16)10(12,13)14/h7H,1-6H2/t7-/m0/s1
InChIKeyJRINXKQWZOLBHK-ZETCQYMHSA-N
MW239.21 g/mol
LogP2.29
Rot. Bonds1

About 2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-4-azaspiro[2.5]octan-4-yl]ethanone

2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-4-azaspiro[2.5]octan-4-yl]ethanone (PubChem CID 58542384) has the molecular formula C10H13F4NO and a molecular weight of 239.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-4-azaspiro[2.5]octan-4-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-4-azaspiro[2.5]octan-4-yl]ethanone
PubChem CID58542384
Molecular FormulaC10H13F4NO
Molecular Weight239.21 g/mol
Exact Mass239.09
IUPAC Name2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-4-azaspiro[2.5]octan-4-yl]ethanone
SMILESO=C(N1C[C@H](CF)CCC12CC2)C(F)(F)F
InChIInChI=1S/C10H13F4NO/c11-5-7-1-2-9(3-4-9)15(6-7)8(16)10(12,13)14/h7H,1-6H2/t7-/m0/s1
InChIKeyJRINXKQWZOLBHK-ZETCQYMHSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-4-azaspiro[2.5]octan-4-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[(6S)-6-ethyl-4-azaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone
CID 58542340
2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-7-[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone;hydrochloride
CID 87396031
1-[(6R)-6-ethyl-7-[(2S,5R)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone
CID 87252930
1-[(6S)-6-ethyl-7-[(2R,5R)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone
CID 87252780
2-chloro-1-[3-(fluoromethyl)pyrrolidin-1-yl]ethanone
CID 121200994
4-acetyl-4-azaspiro[2.5]octane-6-carboxylic acid
CID 167741680
1-[3-(fluoromethyl)azetidin-1-yl]ethanone
CID 121188787
1-[(3aS,6aR)-3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2,2,2-trifluoroethanone
CID 164655788
2,2,2-trifluoro-1-[3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]ethanone
CID 155894161
2,2,2-trifluoro-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 10330779
(2S,4R)-2-tert-butyl-2-[(6R)-6-ethyl-4-(2,2,2-trifluoroacetyl)-4,7-diazaspiro[2.5]octane-7-carbonyl]-4-fluoropyrrolidine-1-carboxylic acid
CID 87395349
2-methyl-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid
CID 22132138

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-4-azaspiro[2.5]octan-4-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-4-azaspiro[2.5]octan-4-yl]ethanone (CID 58542384) is 2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-4-azaspiro[2.5]octan-4-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-4-azaspiro[2.5]octan-4-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-4-azaspiro[2.5]octan-4-yl]ethanone is O=C(N1C[C@H](CF)CCC12CC2)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-4-azaspiro[2.5]octan-4-yl]ethanone?
The InChIKey is JRINXKQWZOLBHK-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13F4NO/c11-5-7-1-2-9(3-4-9)15(6-7)8(16)10(12,13)14/h7H,1-6H2/t7-/m0/s1.
What are the key properties of 2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-4-azaspiro[2.5]octan-4-yl]ethanone?
2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-4-azaspiro[2.5]octan-4-yl]ethanone has a molecular weight of 239.21 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-4-azaspiro[2.5]octan-4-yl]ethanone is sourced from PubChem (CID 58542384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).