2,2,2-trifluoro-1-(8-propan-2-yl-2,8-diazaspiro[3.5]nonan-2-yl)ethanone

C12H19F3N2O — CID 171415786

IUPAC2,2,2-trifluoro-1-(8-propan-2-yl-2,8-diazaspiro[3.5]nonan-2-yl)ethanone
SMILESCC(C)N1CCCC2(CN(C(=O)C(F)(F)F)C2)C1
InChIInChI=1S/C12H19F3N2O/c1-9(2)16-5-3-4-11(6-16)7-17(8-11)10(18)12(13,14)15/h9H,3-8H2,1-2H3
InChIKeyWOMFZBWRMWQFLW-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.88
Rot. Bonds1

About 2,2,2-trifluoro-1-(8-propan-2-yl-2,8-diazaspiro[3.5]nonan-2-yl)ethanone

2,2,2-trifluoro-1-(8-propan-2-yl-2,8-diazaspiro[3.5]nonan-2-yl)ethanone (PubChem CID 171415786) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(8-propan-2-yl-2,8-diazaspiro[3.5]nonan-2-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(8-propan-2-yl-2,8-diazaspiro[3.5]nonan-2-yl)ethanone
PubChem CID171415786
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name2,2,2-trifluoro-1-(8-propan-2-yl-2,8-diazaspiro[3.5]nonan-2-yl)ethanone
SMILESCC(C)N1CCCC2(CN(C(=O)C(F)(F)F)C2)C1
InChIInChI=1S/C12H19F3N2O/c1-9(2)16-5-3-4-11(6-16)7-17(8-11)10(18)12(13,14)15/h9H,3-8H2,1-2H3
InChIKeyWOMFZBWRMWQFLW-UHFFFAOYSA-N
XLogP1.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-1-(9-propan-2-yl-2,9-diazaspiro[3.6]decan-2-yl)ethanone
CID 171415708
2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;ethane
CID 172605205
8-propan-2-yl-2,8-diazaspiro[3.5]nonane-2-carbaldehyde
CID 171415652
(2,2-difluorocyclopropyl)-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)methanone
CID 171415579
ethane;2-propan-2-yl-2-azaspiro[4.5]decane
CID 144877753
1-(8-tert-butyl-2,8-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropan-1-one
CID 168727113
1-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2,2,2-trifluoroethanone
CID 91172286
furan-3-yl-(9-propan-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155838373
1-(4,4-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone
CID 45081156
3-methyl-1-propan-2-ylpiperidin-3-ol
CID 69087871
2,2,2-trifluoro-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107406145
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 163848476

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(8-propan-2-yl-2,8-diazaspiro[3.5]nonan-2-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(8-propan-2-yl-2,8-diazaspiro[3.5]nonan-2-yl)ethanone (CID 171415786) is 2,2,2-trifluoro-1-(8-propan-2-yl-2,8-diazaspiro[3.5]nonan-2-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(8-propan-2-yl-2,8-diazaspiro[3.5]nonan-2-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(8-propan-2-yl-2,8-diazaspiro[3.5]nonan-2-yl)ethanone is CC(C)N1CCCC2(CN(C(=O)C(F)(F)F)C2)C1.
What is the InChIKey of 2,2,2-trifluoro-1-(8-propan-2-yl-2,8-diazaspiro[3.5]nonan-2-yl)ethanone?
The InChIKey is WOMFZBWRMWQFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-9(2)16-5-3-4-11(6-16)7-17(8-11)10(18)12(13,14)15/h9H,3-8H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-(8-propan-2-yl-2,8-diazaspiro[3.5]nonan-2-yl)ethanone?
2,2,2-trifluoro-1-(8-propan-2-yl-2,8-diazaspiro[3.5]nonan-2-yl)ethanone has a molecular weight of 264.29 g/mol, XLogP of 1.88, 1 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-(8-propan-2-yl-2,8-diazaspiro[3.5]nonan-2-yl)ethanone is sourced from PubChem (CID 171415786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).