2,2,2-trifluoro-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone

C11H17F3N2O — CID 91583203

IUPAC2,2,2-trifluoro-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone
SMILESCN1CCC2(CCN(C(=O)C(F)(F)F)CC2)C1
InChIInChI=1S/C11H17F3N2O/c1-15-5-2-10(8-15)3-6-16(7-4-10)9(17)11(12,13)14/h2-8H2,1H3
InChIKeyUBIKOOBDPAGOAJ-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.49
Rot. Bonds

About 2,2,2-trifluoro-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone

2,2,2-trifluoro-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone (PubChem CID 91583203) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone
PubChem CID91583203
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name2,2,2-trifluoro-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone
SMILESCN1CCC2(CCN(C(=O)C(F)(F)F)CC2)C1
InChIInChI=1S/C11H17F3N2O/c1-15-5-2-10(8-15)3-6-16(7-4-10)9(17)11(12,13)14/h2-8H2,1H3
InChIKeyUBIKOOBDPAGOAJ-UHFFFAOYSA-N
XLogP1.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-Difluoro-5-azaspiro[2.4]heptan-5-yl)ethanone
CID 174315535
1-(4-(Pyrrolidin-1-ylmethyl)piperidin-1-yl)ethanone
CID 60776121
2-Ethyl-8-(3,3,4,4-tetrafluorobutyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72871935
2,2-Dimethyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 57658017
1-(4,4-Difluoropiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 58394601
1-(4-Tert-butylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 58756869
1-(4,4-Dimethylpiperidin-1-yl)-2-fluoroethanone
CID 58959885
1-[4-(Difluoromethyl)-4-propan-2-ylpiperidin-1-yl]ethanone
CID 59351363
1-(2,8-Diazaspiro[4.5]decan-2-yl)-2,2,2-trifluoroethanone
CID 59486372
Tert-butyl 8-(2,2,2-trifluoroacetyl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 59505224
2,2,2-Trifluoro-1-(2,8-diazaspiro[4.5]decan-8-yl)ethanone
CID 59505239
1-[4-(1,1-Difluoroethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 59553926

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone (CID 91583203) is 2,2,2-trifluoro-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone is CN1CCC2(CCN(C(=O)C(F)(F)F)CC2)C1.
What is the InChIKey of 2,2,2-trifluoro-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone?
The InChIKey is UBIKOOBDPAGOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-15-5-2-10(8-15)3-6-16(7-4-10)9(17)11(12,13)14/h2-8H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone?
2,2,2-trifluoro-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone has a molecular weight of 250.26 g/mol, XLogP of 1.49, 0 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-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone is sourced from PubChem (CID 91583203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).