1-[(6S)-6-ethyl-4-azaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone

C11H16F3NO — CID 58542340

IUPAC1-[(6S)-6-ethyl-4-azaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone
SMILESCC[C@H]1CCC2(CC2)N(C(=O)C(F)(F)F)C1
InChIInChI=1S/C11H16F3NO/c1-2-8-3-4-10(5-6-10)15(7-8)9(16)11(12,13)14/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyKUKRZNBEZIQNIE-QMMMGPOBSA-N
MW235.25 g/mol
LogP2.73
Rot. Bonds1

About 1-[(6S)-6-ethyl-4-azaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone

1-[(6S)-6-ethyl-4-azaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone (PubChem CID 58542340) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is 1-[(6S)-6-ethyl-4-azaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[(6S)-6-ethyl-4-azaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone
PubChem CID58542340
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name1-[(6S)-6-ethyl-4-azaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone
SMILESCC[C@H]1CCC2(CC2)N(C(=O)C(F)(F)F)C1
InChIInChI=1S/C11H16F3NO/c1-2-8-3-4-10(5-6-10)15(7-8)9(16)11(12,13)14/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyKUKRZNBEZIQNIE-QMMMGPOBSA-N
XLogP2.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(6S)-6-ethyl-4-azaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone with MolForge

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Related Compounds

2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-4-azaspiro[2.5]octan-4-yl]ethanone
CID 58542384
1-(3-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 62490949
1-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]-2,2,2-trifluoroethanone
CID 130640020
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
(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
1-(7-ethyl-2-azaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one
CID 170063585
4-acetyl-4-azaspiro[2.5]octane-6-carboxylic acid
CID 167741680
1-(2,2-dimethylpyrrolidin-1-yl)-2,2,2-trifluoroethanone;propan-1-ol
CID 156639117
N-(5-ethyl-2-oxa-5-azaspiro[3.5]nonan-7-yl)-2,2,2-trifluoroacetamide
CID 167375390
1-(1-carboxycyclohexyl)-4-ethylcyclohexane-1-carboxylic acid
CID 70366227
2-methyl-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid
CID 22132138

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-6-ethyl-4-azaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[(6S)-6-ethyl-4-azaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone (CID 58542340) is 1-[(6S)-6-ethyl-4-azaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[(6S)-6-ethyl-4-azaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[(6S)-6-ethyl-4-azaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone is CC[C@H]1CCC2(CC2)N(C(=O)C(F)(F)F)C1.
What is the InChIKey of 1-[(6S)-6-ethyl-4-azaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone?
The InChIKey is KUKRZNBEZIQNIE-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-2-8-3-4-10(5-6-10)15(7-8)9(16)11(12,13)14/h8H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of 1-[(6S)-6-ethyl-4-azaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone?
1-[(6S)-6-ethyl-4-azaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone has a molecular weight of 235.25 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-6-ethyl-4-azaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 58542340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).