(2R)-2-[(1R,2R)-1-(2,3-difluorophenyl)-1-(4-fluorophenyl)propan-2-yl]-1-methylpyrrolidine

C20H22F3N — CID 134297958

IUPAC(2R)-2-[(1R,2R)-1-(2,3-difluorophenyl)-1-(4-fluorophenyl)propan-2-yl]-1-methylpyrrolidine
SMILESC[C@H]([C@H](c1ccc(F)cc1)c1cccc(F)c1F)[C@H]1CCCN1C
InChIInChI=1S/C20H22F3N/c1-13(18-7-4-12-24(18)2)19(14-8-10-15(21)11-9-14)16-5-3-6-17(22)20(16)23/h3,5-6,8-11,13,18-19H,4,7,12H2,1-2H3/t13-,18+,19+/m0/s1
InChIKeyKXYDLNCKRSRDNU-MJXNMMHHSA-N
MW333.40 g/mol
LogP4.97
Rot. Bonds4

About (2R)-2-[(1R,2R)-1-(2,3-difluorophenyl)-1-(4-fluorophenyl)propan-2-yl]-1-methylpyrrolidine

(2R)-2-[(1R,2R)-1-(2,3-difluorophenyl)-1-(4-fluorophenyl)propan-2-yl]-1-methylpyrrolidine (PubChem CID 134297958) has the molecular formula C20H22F3N and a molecular weight of 333.40 g/mol. Its IUPAC name is (2R)-2-[(1R,2R)-1-(2,3-difluorophenyl)-1-(4-fluorophenyl)propan-2-yl]-1-methylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(1R,2R)-1-(2,3-difluorophenyl)-1-(4-fluorophenyl)propan-2-yl]-1-methylpyrrolidine
PubChem CID134297958
Molecular FormulaC20H22F3N
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name(2R)-2-[(1R,2R)-1-(2,3-difluorophenyl)-1-(4-fluorophenyl)propan-2-yl]-1-methylpyrrolidine
SMILESC[C@H]([C@H](c1ccc(F)cc1)c1cccc(F)c1F)[C@H]1CCCN1C
InChIInChI=1S/C20H22F3N/c1-13(18-7-4-12-24(18)2)19(14-8-10-15(21)11-9-14)16-5-3-6-17(22)20(16)23/h3,5-6,8-11,13,18-19H,4,7,12H2,1-2H3/t13-,18+,19+/m0/s1
InChIKeyKXYDLNCKRSRDNU-MJXNMMHHSA-N
XLogP4.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R,2R)-1-(2,3-difluorophenyl)-1-(4-fluorophenyl)propan-2-yl]-1-methylpyrrolidine?
The IUPAC name of (2R)-2-[(1R,2R)-1-(2,3-difluorophenyl)-1-(4-fluorophenyl)propan-2-yl]-1-methylpyrrolidine (CID 134297958) is (2R)-2-[(1R,2R)-1-(2,3-difluorophenyl)-1-(4-fluorophenyl)propan-2-yl]-1-methylpyrrolidine.
What is the SMILES notation for (2R)-2-[(1R,2R)-1-(2,3-difluorophenyl)-1-(4-fluorophenyl)propan-2-yl]-1-methylpyrrolidine?
The canonical SMILES for (2R)-2-[(1R,2R)-1-(2,3-difluorophenyl)-1-(4-fluorophenyl)propan-2-yl]-1-methylpyrrolidine is C[C@H]([C@H](c1ccc(F)cc1)c1cccc(F)c1F)[C@H]1CCCN1C.
What is the InChIKey of (2R)-2-[(1R,2R)-1-(2,3-difluorophenyl)-1-(4-fluorophenyl)propan-2-yl]-1-methylpyrrolidine?
The InChIKey is KXYDLNCKRSRDNU-MJXNMMHHSA-N. The full InChI is InChI=1S/C20H22F3N/c1-13(18-7-4-12-24(18)2)19(14-8-10-15(21)11-9-14)16-5-3-6-17(22)20(16)23/h3,5-6,8-11,13,18-19H,4,7,12H2,1-2H3/t13-,18+,19+/m0/s1.
What are the key properties of (2R)-2-[(1R,2R)-1-(2,3-difluorophenyl)-1-(4-fluorophenyl)propan-2-yl]-1-methylpyrrolidine?
(2R)-2-[(1R,2R)-1-(2,3-difluorophenyl)-1-(4-fluorophenyl)propan-2-yl]-1-methylpyrrolidine has a molecular weight of 333.40 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R,2R)-1-(2,3-difluorophenyl)-1-(4-fluorophenyl)propan-2-yl]-1-methylpyrrolidine is sourced from PubChem (CID 134297958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).