1-[2-(2-methylphenyl)pyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone

C20H20F3NO2 — CID 55890319

IUPAC1-[2-(2-methylphenyl)pyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone
SMILESCc1ccccc1C1CCCN1C(=O)COc1ccccc1C(F)(F)F
InChIInChI=1S/C20H20F3NO2/c1-14-7-2-3-8-15(14)17-10-6-12-24(17)19(25)13-26-18-11-5-4-9-16(18)20(21,22)23/h2-5,7-9,11,17H,6,10,12-13H2,1H3
InChIKeyXTCURTLLDDMDGP-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.76
Rot. Bonds4

About 1-[2-(2-methylphenyl)pyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone

1-[2-(2-methylphenyl)pyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone (PubChem CID 55890319) has the molecular formula C20H20F3NO2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 1-[2-(2-methylphenyl)pyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-[2-(2-methylphenyl)pyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone
PubChem CID55890319
Molecular FormulaC20H20F3NO2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name1-[2-(2-methylphenyl)pyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone
SMILESCc1ccccc1C1CCCN1C(=O)COc1ccccc1C(F)(F)F
InChIInChI=1S/C20H20F3NO2/c1-14-7-2-3-8-15(14)17-10-6-12-24(17)19(25)13-26-18-11-5-4-9-16(18)20(21,22)23/h2-5,7-9,11,17H,6,10,12-13H2,1H3
InChIKeyXTCURTLLDDMDGP-UHFFFAOYSA-N
XLogP4.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[2-(trifluoromethyl)phenoxy]acetyl]pyrrolidine-2-carboxylic acid
CID 119355551
[2-oxo-2-[2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl] N-tert-butylcarbamate
CID 174931684
tert-butyl 2-(2-methylphenyl)pyrrolidine-1-carboxylate;ethane
CID 144843357
2-(cyclopropylmethylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 60947838
1-[3-(methylamino)piperidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone;hydrochloride
CID 119493476
(7S)-7-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]acetyl]-1,4-diazepan-5-one
CID 94130900
2-(cyclopropylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 54872354
(2,6-dimethoxyphenyl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 95053428
1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 86951335
2-(3,4-dimethoxyphenyl)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 94627664
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-(2-methylphenoxy)ethanone
CID 90564159
1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-one
CID 107507935

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenyl)pyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone?
The IUPAC name of 1-[2-(2-methylphenyl)pyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone (CID 55890319) is 1-[2-(2-methylphenyl)pyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone.
What is the SMILES notation for 1-[2-(2-methylphenyl)pyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone?
The canonical SMILES for 1-[2-(2-methylphenyl)pyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone is Cc1ccccc1C1CCCN1C(=O)COc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[2-(2-methylphenyl)pyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone?
The InChIKey is XTCURTLLDDMDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO2/c1-14-7-2-3-8-15(14)17-10-6-12-24(17)19(25)13-26-18-11-5-4-9-16(18)20(21,22)23/h2-5,7-9,11,17H,6,10,12-13H2,1H3.
What are the key properties of 1-[2-(2-methylphenyl)pyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone?
1-[2-(2-methylphenyl)pyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone has a molecular weight of 363.38 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenyl)pyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone is sourced from PubChem (CID 55890319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).