(2S)-4-(2,5-difluorophenyl)-1-[(3S)-1-methylpyrrolidin-3-yl]-2-phenyl-2,5-dihydropyrrole

C21H22F2N2 — CID 141082928

IUPAC(2S)-4-(2,5-difluorophenyl)-1-[(3S)-1-methylpyrrolidin-3-yl]-2-phenyl-2,5-dihydropyrrole
SMILESCN1CC[C@H](N2CC(c3cc(F)ccc3F)=C[C@H]2c2ccccc2)C1
InChIInChI=1S/C21H22F2N2/c1-24-10-9-18(14-24)25-13-16(19-12-17(22)7-8-20(19)23)11-21(25)15-5-3-2-4-6-15/h2-8,11-12,18,21H,9-10,13-14H2,1H3/t18-,21-/m0/s1
InChIKeyDVTXUPBIRSGAAV-RXVVDRJESA-N
MW340.42 g/mol
LogP4.11
Rot. Bonds3

About (2S)-4-(2,5-difluorophenyl)-1-[(3S)-1-methylpyrrolidin-3-yl]-2-phenyl-2,5-dihydropyrrole

(2S)-4-(2,5-difluorophenyl)-1-[(3S)-1-methylpyrrolidin-3-yl]-2-phenyl-2,5-dihydropyrrole (PubChem CID 141082928) has the molecular formula C21H22F2N2 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2S)-4-(2,5-difluorophenyl)-1-[(3S)-1-methylpyrrolidin-3-yl]-2-phenyl-2,5-dihydropyrrole.

Molecular Properties

Compound Name(2S)-4-(2,5-difluorophenyl)-1-[(3S)-1-methylpyrrolidin-3-yl]-2-phenyl-2,5-dihydropyrrole
PubChem CID141082928
Molecular FormulaC21H22F2N2
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(2S)-4-(2,5-difluorophenyl)-1-[(3S)-1-methylpyrrolidin-3-yl]-2-phenyl-2,5-dihydropyrrole
SMILESCN1CC[C@H](N2CC(c3cc(F)ccc3F)=C[C@H]2c2ccccc2)C1
InChIInChI=1S/C21H22F2N2/c1-24-10-9-18(14-24)25-13-16(19-12-17(22)7-8-20(19)23)11-21(25)15-5-3-2-4-6-15/h2-8,11-12,18,21H,9-10,13-14H2,1H3/t18-,21-/m0/s1
InChIKeyDVTXUPBIRSGAAV-RXVVDRJESA-N
XLogP4.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-4-(2,5-difluorophenyl)-1-[(3S)-1-methylpyrrolidin-3-yl]-2-phenyl-2,5-dihydropyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2,5-difluorophenyl)-1-[(3S)-1-methylpyrrolidin-3-yl]-2-phenyl-2,5-dihydropyrrole?
The IUPAC name of (2S)-4-(2,5-difluorophenyl)-1-[(3S)-1-methylpyrrolidin-3-yl]-2-phenyl-2,5-dihydropyrrole (CID 141082928) is (2S)-4-(2,5-difluorophenyl)-1-[(3S)-1-methylpyrrolidin-3-yl]-2-phenyl-2,5-dihydropyrrole.
What is the SMILES notation for (2S)-4-(2,5-difluorophenyl)-1-[(3S)-1-methylpyrrolidin-3-yl]-2-phenyl-2,5-dihydropyrrole?
The canonical SMILES for (2S)-4-(2,5-difluorophenyl)-1-[(3S)-1-methylpyrrolidin-3-yl]-2-phenyl-2,5-dihydropyrrole is CN1CC[C@H](N2CC(c3cc(F)ccc3F)=C[C@H]2c2ccccc2)C1.
What is the InChIKey of (2S)-4-(2,5-difluorophenyl)-1-[(3S)-1-methylpyrrolidin-3-yl]-2-phenyl-2,5-dihydropyrrole?
The InChIKey is DVTXUPBIRSGAAV-RXVVDRJESA-N. The full InChI is InChI=1S/C21H22F2N2/c1-24-10-9-18(14-24)25-13-16(19-12-17(22)7-8-20(19)23)11-21(25)15-5-3-2-4-6-15/h2-8,11-12,18,21H,9-10,13-14H2,1H3/t18-,21-/m0/s1.
What are the key properties of (2S)-4-(2,5-difluorophenyl)-1-[(3S)-1-methylpyrrolidin-3-yl]-2-phenyl-2,5-dihydropyrrole?
(2S)-4-(2,5-difluorophenyl)-1-[(3S)-1-methylpyrrolidin-3-yl]-2-phenyl-2,5-dihydropyrrole has a molecular weight of 340.42 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2,5-difluorophenyl)-1-[(3S)-1-methylpyrrolidin-3-yl]-2-phenyl-2,5-dihydropyrrole is sourced from PubChem (CID 141082928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).