2,2,2-trifluoro-1-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]ethanone

C16H17F3N2O2 — CID 110343994

IUPAC2,2,2-trifluoro-1-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]ethanone
SMILESCC1Cc2ccccc2N1C(=O)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C16H17F3N2O2/c1-10-9-11-5-2-3-6-12(11)21(10)14(22)13-7-4-8-20(13)15(23)16(17,18)19/h2-3,5-6,10,13H,4,7-9H2,1H3
InChIKeyYMIJLALAVSZCAJ-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.52
Rot. Bonds1

About 2,2,2-trifluoro-1-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]ethanone

2,2,2-trifluoro-1-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]ethanone (PubChem CID 110343994) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]ethanone
PubChem CID110343994
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC Name2,2,2-trifluoro-1-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]ethanone
SMILESCC1Cc2ccccc2N1C(=O)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C16H17F3N2O2/c1-10-9-11-5-2-3-6-12(11)21(10)14(22)13-7-4-8-20(13)15(23)16(17,18)19/h2-3,5-6,10,13H,4,7-9H2,1H3
InChIKeyYMIJLALAVSZCAJ-UHFFFAOYSA-N
XLogP2.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone
CID 96596406
2,2-dimethyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958516
2,2-dimethyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-(3-methylpiperidin-1-yl)propane-1,3-dione
CID 108966814
2,3-dihydro-1H-indol-2-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 76892715
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 42587064
[(1R,2R)-2-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-3-methylidenecyclopropyl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 25358035
1-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 110399846
(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpiperidin-2-yl)methanone
CID 24698122
[4-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146334
[(3R)-1-ethylsulfonylpiperidin-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 95118895
1-[2-(3,4-dimethylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 110869148
(1,1-dioxothian-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 110863894

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]ethanone (CID 110343994) is 2,2,2-trifluoro-1-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]ethanone is CC1Cc2ccccc2N1C(=O)C1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]ethanone?
The InChIKey is YMIJLALAVSZCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c1-10-9-11-5-2-3-6-12(11)21(10)14(22)13-7-4-8-20(13)15(23)16(17,18)19/h2-3,5-6,10,13H,4,7-9H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]ethanone?
2,2,2-trifluoro-1-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]ethanone has a molecular weight of 326.32 g/mol, XLogP of 2.52, 1 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-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110343994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).