2,2-dimethyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one

C12H21F3N2O — CID 115267110

IUPAC2,2-dimethyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
SMILESCNCC1(C(F)(F)F)CCCN1C(=O)C(C)(C)C
InChIInChI=1S/C12H21F3N2O/c1-10(2,3)9(18)17-7-5-6-11(17,8-16-4)12(13,14)15/h16H,5-8H2,1-4H3
InChIKeyQRKKCVVCVWYOEJ-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.18
Rot. Bonds2

About 2,2-dimethyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one

2,2-dimethyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 115267110) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID115267110
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name2,2-dimethyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
SMILESCNCC1(C(F)(F)F)CCCN1C(=O)C(C)(C)C
InChIInChI=1S/C12H21F3N2O/c1-10(2,3)9(18)17-7-5-6-11(17,8-16-4)12(13,14)15/h16H,5-8H2,1-4H3
InChIKeyQRKKCVVCVWYOEJ-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 115267106
ethyl 2-(methylaminomethyl)-2-(trifluoromethyl)piperidine-1-carboxylate
CID 115267203
tert-butyl 2-[[(2-chloroacetyl)amino]methyl]-2-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 146109196
1-[2-(aminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 115270695
1-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 126769744
1-(2-tert-butyl-2-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one
CID 176781659
1-(2,2-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 126750038
1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 115267025
3,3-dimethyl-1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 115270808
2,2-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]propan-1-one
CID 116921693
2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 166651726
(2R)-2-tert-butyl-2-[(3-fluoroanilino)methyl]pyrrolidine-1-carboxylic acid
CID 67445507

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one (CID 115267110) is 2,2-dimethyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one is CNCC1(C(F)(F)F)CCCN1C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is QRKKCVVCVWYOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-10(2,3)9(18)17-7-5-6-11(17,8-16-4)12(13,14)15/h16H,5-8H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one?
2,2-dimethyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 266.31 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 115267110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).