1-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2,2,2-trifluoroethanone

C12H19F3N2O — CID 91172286

IUPAC1-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2,2,2-trifluoroethanone
SMILESCCN1CCC2(CC1)CCN(C(=O)C(F)(F)F)C2
InChIInChI=1S/C12H19F3N2O/c1-2-16-6-3-11(4-7-16)5-8-17(9-11)10(18)12(13,14)15/h2-9H2,1H3
InChIKeyNQYULMQKXDWBBJ-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.88
Rot. Bonds1

About 1-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2,2,2-trifluoroethanone

1-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2,2,2-trifluoroethanone (PubChem CID 91172286) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2,2,2-trifluoroethanone
PubChem CID91172286
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name1-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2,2,2-trifluoroethanone
SMILESCCN1CCC2(CC1)CCN(C(=O)C(F)(F)F)C2
InChIInChI=1S/C12H19F3N2O/c1-2-16-6-3-11(4-7-16)5-8-17(9-11)10(18)12(13,14)15/h2-9H2,1H3
InChIKeyNQYULMQKXDWBBJ-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

1-(4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone
CID 88924194
1-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylpropan-1-one
CID 156795061
1-(7-ethyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-(methylamino)ethanone
CID 164556916
3,9-diethyl-3,9-diazaspiro[5.5]undecane
CID 20622591
N,2-diethyl-N-methyl-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 166144244
1-(8-ethyl-10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone;hydrochloride
CID 88924259
1,4-bis(4-ethylpiperazin-1-yl)-2,2,3,3-tetrafluorobutane-1,4-dione
CID 4167516
1-(4,4-difluoro-3,3-dihydroxypiperidin-1-yl)-2,2,2-trifluoroethanone
CID 135039672
1-(4,4-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone
CID 45081156
3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2,2-dimethylpropan-1-one
CID 119788804
2-cyclopropyl-1-(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone
CID 97392926
N,3-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide
CID 106322158

Frequently Asked Questions

What is the IUPAC name of 1-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2,2,2-trifluoroethanone (CID 91172286) is 1-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2,2,2-trifluoroethanone is CCN1CCC2(CC1)CCN(C(=O)C(F)(F)F)C2.
What is the InChIKey of 1-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2,2,2-trifluoroethanone?
The InChIKey is NQYULMQKXDWBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-2-16-6-3-11(4-7-16)5-8-17(9-11)10(18)12(13,14)15/h2-9H2,1H3.
What are the key properties of 1-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2,2,2-trifluoroethanone?
1-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2,2,2-trifluoroethanone 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 1-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 91172286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).