2-[3-[1-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethenyl]pyrrolidin-1-yl]-1H-pyrrole

C21H24F3N3 — CID 126749190

IUPAC2-[3-[1-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethenyl]pyrrolidin-1-yl]-1H-pyrrole
SMILESC=C(C1CCN(c2ccc[nH]2)C1)N1CCC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C21H24F3N3/c1-15(17-8-12-27(13-17)20-3-2-10-25-20)26-11-9-18(14-26)16-4-6-19(7-5-16)21(22,23)24/h2-7,10,17-18,25H,1,8-9,11-14H2
InChIKeyYAUGXOLWMVJLAE-UHFFFAOYSA-N
MW375.44 g/mol
LogP4.86
Rot. Bonds4

About 2-[3-[1-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethenyl]pyrrolidin-1-yl]-1H-pyrrole

2-[3-[1-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethenyl]pyrrolidin-1-yl]-1H-pyrrole (PubChem CID 126749190) has the molecular formula C21H24F3N3 and a molecular weight of 375.44 g/mol. Its IUPAC name is 2-[3-[1-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethenyl]pyrrolidin-1-yl]-1H-pyrrole.

Molecular Properties

Compound Name2-[3-[1-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethenyl]pyrrolidin-1-yl]-1H-pyrrole
PubChem CID126749190
Molecular FormulaC21H24F3N3
Molecular Weight375.44 g/mol
Exact Mass375.19
IUPAC Name2-[3-[1-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethenyl]pyrrolidin-1-yl]-1H-pyrrole
SMILESC=C(C1CCN(c2ccc[nH]2)C1)N1CCC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C21H24F3N3/c1-15(17-8-12-27(13-17)20-3-2-10-25-20)26-11-9-18(14-26)16-4-6-19(7-5-16)21(22,23)24/h2-7,10,17-18,25H,1,8-9,11-14H2
InChIKeyYAUGXOLWMVJLAE-UHFFFAOYSA-N
XLogP4.86
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(1-tert-butylpyrrolidin-3-yl)ethenyl]-4-[4-(trifluoromethyl)phenyl]piperidine
CID 126749255
(4aR,8aS)-6-[3-[4-(trifluoromethyl)phenyl]azetidine-1-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 155757167
1-[1-(4-methylphenyl)ethenyl]-4-[4-(trifluoromethyl)phenyl]piperidine
CID 156560783
1-(4-tert-butyl-2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 155764118
[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 141241638
1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 57299449
[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl] hydrogen carbonate
CID 67084196
3-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carbaldehyde
CID 175289207
3-methyl-4-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]aniline
CID 150929669
1-[2-oxo-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl]-3-phenylurea
CID 154839225
3-[1-oxo-1-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-2-yl]benzonitrile
CID 167935858
[3-(4-chlorophenyl)azepan-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 121146514

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethenyl]pyrrolidin-1-yl]-1H-pyrrole?
The IUPAC name of 2-[3-[1-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethenyl]pyrrolidin-1-yl]-1H-pyrrole (CID 126749190) is 2-[3-[1-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethenyl]pyrrolidin-1-yl]-1H-pyrrole.
What is the SMILES notation for 2-[3-[1-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethenyl]pyrrolidin-1-yl]-1H-pyrrole?
The canonical SMILES for 2-[3-[1-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethenyl]pyrrolidin-1-yl]-1H-pyrrole is C=C(C1CCN(c2ccc[nH]2)C1)N1CCC(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 2-[3-[1-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethenyl]pyrrolidin-1-yl]-1H-pyrrole?
The InChIKey is YAUGXOLWMVJLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3/c1-15(17-8-12-27(13-17)20-3-2-10-25-20)26-11-9-18(14-26)16-4-6-19(7-5-16)21(22,23)24/h2-7,10,17-18,25H,1,8-9,11-14H2.
What are the key properties of 2-[3-[1-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethenyl]pyrrolidin-1-yl]-1H-pyrrole?
2-[3-[1-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethenyl]pyrrolidin-1-yl]-1H-pyrrole has a molecular weight of 375.44 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethenyl]pyrrolidin-1-yl]-1H-pyrrole is sourced from PubChem (CID 126749190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).