1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidine

C21H21F3N2 — CID 73162628

IUPAC1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1ccc(C2CCC(c3ccccc3)N2C2=NCCC2)cc1
InChIInChI=1S/C21H21F3N2/c22-21(23,24)17-10-8-16(9-11-17)19-13-12-18(15-5-2-1-3-6-15)26(19)20-7-4-14-25-20/h1-3,5-6,8-11,18-19H,4,7,12-14H2
InChIKeyJYXPKMQPIDKCQC-UHFFFAOYSA-N
MW358.41 g/mol
LogP5.78
Rot. Bonds2

About 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidine

1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 73162628) has the molecular formula C21H21F3N2 and a molecular weight of 358.41 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID73162628
Molecular FormulaC21H21F3N2
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1ccc(C2CCC(c3ccccc3)N2C2=NCCC2)cc1
InChIInChI=1S/C21H21F3N2/c22-21(23,24)17-10-8-16(9-11-17)19-13-12-18(15-5-2-1-3-6-15)26(19)20-7-4-14-25-20/h1-3,5-6,8-11,18-19H,4,7,12-14H2
InChIKeyJYXPKMQPIDKCQC-UHFFFAOYSA-N
XLogP5.78
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.41
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-pyrrol-5-yl)-2,5-diphenylpyrrolidine
CID 101425247
1-[4-[(2R,5R)-1-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenylpyrrolidin-2-yl]phenyl]ethanone
CID 162413941
1-cyclopropyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine
CID 79509319
(5S)-5-phenyl-1-[4-(trifluoromethyl)phenyl]-4,5-dihydrotriazole
CID 139205001
2-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 62718282
(3R,4R)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidine
CID 14181100
(3S,4S)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidine
CID 56605871
1-(cyclopropylmethyl)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-amine
CID 79521412
(2R,5R)-2,5-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 67237507
2-[(2R)-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide
CID 94819890
2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 140707313
1-(2,2-diphenylcyclopropyl)-4-(trifluoromethyl)benzene
CID 11473198

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidine (CID 73162628) is 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidine is FC(F)(F)c1ccc(C2CCC(c3ccccc3)N2C2=NCCC2)cc1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is JYXPKMQPIDKCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2/c22-21(23,24)17-10-8-16(9-11-17)19-13-12-18(15-5-2-1-3-6-15)26(19)20-7-4-14-25-20/h1-3,5-6,8-11,18-19H,4,7,12-14H2.
What are the key properties of 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidine?
1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 358.41 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 73162628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).