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

C11H19F3N2O — CID 115267106

IUPAC2-methyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
SMILESCNCC1(C(F)(F)F)CCCN1C(=O)C(C)C
InChIInChI=1S/C11H19F3N2O/c1-8(2)9(17)16-6-4-5-10(16,7-15-3)11(12,13)14/h8,15H,4-7H2,1-3H3
InChIKeyVFDWOUSAUYCILP-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.79
Rot. Bonds3

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

2-methyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 115267106) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-methyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID115267106
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name2-methyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
SMILESCNCC1(C(F)(F)F)CCCN1C(=O)C(C)C
InChIInChI=1S/C11H19F3N2O/c1-8(2)9(17)16-6-4-5-10(16,7-15-3)11(12,13)14/h8,15H,4-7H2,1-3H3
InChIKeyVFDWOUSAUYCILP-UHFFFAOYSA-N
XLogP1.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 115267110
ethyl 2-(methylaminomethyl)-2-(trifluoromethyl)piperidine-1-carboxylate
CID 115267203
1-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 126769744
tert-butyl 2-[[(2-chloroacetyl)amino]methyl]-2-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 146109196
methyl (2S)-2-methyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 58388106
(2R)-2-phenoxy-1-[(2R)-2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 97098115
1-[2-(aminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 115270695
1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide
CID 175079605
(2R)-1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide
CID 158485166
methyl (2R)-1-(2-methylpropanoyl)-2-prop-2-enylpyrrolidine-2-carboxylate
CID 155775317
1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 115267025
propan-2-yl 2-methyl-2-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 177327328

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one (CID 115267106) is 2-methyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one is CNCC1(C(F)(F)F)CCCN1C(=O)C(C)C.
What is the InChIKey of 2-methyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is VFDWOUSAUYCILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-8(2)9(17)16-6-4-5-10(16,7-15-3)11(12,13)14/h8,15H,4-7H2,1-3H3.
What are the key properties of 2-methyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one?
2-methyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 252.28 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(methylaminomethyl)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 115267106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).