4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C22H31F3N2 — CID 24965702

IUPAC4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC1CCCN1CCc1ccc(C2CCC3CN(CC(F)(F)F)CC32)cc1
InChIInChI=1S/C22H31F3N2/c1-16-3-2-11-27(16)12-10-17-4-6-18(7-5-17)20-9-8-19-13-26(14-21(19)20)15-22(23,24)25/h4-7,16,19-21H,2-3,8-15H2,1H3
InChIKeyPLGDBWAZFAVYCK-UHFFFAOYSA-N
MW380.50 g/mol
LogP4.70
Rot. Bonds5

About 4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 24965702) has the molecular formula C22H31F3N2 and a molecular weight of 380.50 g/mol. Its IUPAC name is 4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID24965702
Molecular FormulaC22H31F3N2
Molecular Weight380.50 g/mol
Exact Mass380.24
IUPAC Name4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC1CCCN1CCc1ccc(C2CCC3CN(CC(F)(F)F)CC32)cc1
InChIInChI=1S/C22H31F3N2/c1-16-3-2-11-27(16)12-10-17-4-6-18(7-5-17)20-9-8-19-13-26(14-21(19)20)15-22(23,24)25/h4-7,16,19-21H,2-3,8-15H2,1H3
InChIKeyPLGDBWAZFAVYCK-UHFFFAOYSA-N
XLogP4.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole with MolForge

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Related Compounds

2-(2-fluoroethyl)-4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 24966055
1-[4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-(oxan-4-yl)ethanone
CID 71197240
[4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-pyrazin-2-ylmethanone
CID 69113796
4-[2-(2-methylpyrrolidin-1-yl)ethyl]benzoic acid
CID 79680062
3-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 69118514
[(2S)-1-[2-[4-[(3aR,4R,6aS)-2-(oxan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidin-2-yl]methanol
CID 173143847
2-phenyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 69112971
1-[4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone
CID 24966051
[(6R,6aR)-6-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopropylmethanone
CID 69129295
[(3aR,4R,6aS)-4-[4-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(oxan-4-yl)methanone
CID 71197253
5-methyl-6-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 141178717
(2R)-1-[2-[4-[4-(aziridin-1-ylsulfonyl)phenyl]phenyl]ethyl]-2-methylpyrrolidine
CID 24886607

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 24965702) is 4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is CC1CCCN1CCc1ccc(C2CCC3CN(CC(F)(F)F)CC32)cc1.
What is the InChIKey of 4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is PLGDBWAZFAVYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F3N2/c1-16-3-2-11-27(16)12-10-17-4-6-18(7-5-17)20-9-8-19-13-26(14-21(19)20)15-22(23,24)25/h4-7,16,19-21H,2-3,8-15H2,1H3.
What are the key properties of 4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 380.50 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 24965702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).