3,3,3-trifluoro-2-methyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one

C9H15F3N2O — CID 119413662

IUPAC3,3,3-trifluoro-2-methyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
SMILESCNC1CCN(C(=O)C(C)C(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O/c1-6(9(10,11)12)8(15)14-4-3-7(5-14)13-2/h6-7,13H,3-5H2,1-2H3
InChIKeyXVFSXVJQCZVVAN-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.01
Rot. Bonds2

About 3,3,3-trifluoro-2-methyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one

3,3,3-trifluoro-2-methyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one (PubChem CID 119413662) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
PubChem CID119413662
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name3,3,3-trifluoro-2-methyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
SMILESCNC1CCN(C(=O)C(C)C(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O/c1-6(9(10,11)12)8(15)14-4-3-7(5-14)13-2/h6-7,13H,3-5H2,1-2H3
InChIKeyXVFSXVJQCZVVAN-UHFFFAOYSA-N
XLogP1.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-3-aminopyrrolidin-1-yl]-3,3,3-trifluoro-2-methylpropan-1-one;hydrochloride
CID 119934179
1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one;hydrochloride
CID 119377592
3-(methylamino)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 83697103
propan-2-yl 3-(methylamino)pyrrolidine-1-carboxylate
CID 115300213
2,2,2-trifluoro-N-[(3R)-1-[(3S)-3-(methylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide
CID 58651055
1-[(3R)-3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride
CID 172646265
2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide
CID 159759290
(3,3-difluorocyclobutyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 172646215
2,3-dimethyl-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119488190
3,3,3-trifluoro-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119400450
3,3,3-trifluoro-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 60818049
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2,3,3-trimethylbutan-1-one
CID 131007907

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3,3,3-trifluoro-2-methyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one (CID 119413662) is 3,3,3-trifluoro-2-methyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one is CNC1CCN(C(=O)C(C)C(F)(F)F)C1.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one?
The InChIKey is XVFSXVJQCZVVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-6(9(10,11)12)8(15)14-4-3-7(5-14)13-2/h6-7,13H,3-5H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-2-methyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one?
3,3,3-trifluoro-2-methyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one has a molecular weight of 224.23 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 119413662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).