(2R)-2-[(1R,2R)-1-(2,3-difluorophenyl)-1-phenylpropan-2-yl]-1-methylpyrrolidine

C20H23F2N — CID 170283185

IUPAC(2R)-2-[(1R,2R)-1-(2,3-difluorophenyl)-1-phenylpropan-2-yl]-1-methylpyrrolidine
SMILESC[C@H]([C@H](c1ccccc1)c1cccc(F)c1F)[C@H]1CCCN1C
InChIInChI=1S/C20H23F2N/c1-14(18-12-7-13-23(18)2)19(15-8-4-3-5-9-15)16-10-6-11-17(21)20(16)22/h3-6,8-11,14,18-19H,7,12-13H2,1-2H3/t14-,18+,19+/m0/s1
InChIKeyYJLKPNSSJWBNIO-GDIGMMSISA-N
MW315.41 g/mol
LogP4.83
Rot. Bonds4

About (2R)-2-[(1R,2R)-1-(2,3-difluorophenyl)-1-phenylpropan-2-yl]-1-methylpyrrolidine

(2R)-2-[(1R,2R)-1-(2,3-difluorophenyl)-1-phenylpropan-2-yl]-1-methylpyrrolidine (PubChem CID 170283185) has the molecular formula C20H23F2N and a molecular weight of 315.41 g/mol. Its IUPAC name is (2R)-2-[(1R,2R)-1-(2,3-difluorophenyl)-1-phenylpropan-2-yl]-1-methylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(1R,2R)-1-(2,3-difluorophenyl)-1-phenylpropan-2-yl]-1-methylpyrrolidine
PubChem CID170283185
Molecular FormulaC20H23F2N
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name(2R)-2-[(1R,2R)-1-(2,3-difluorophenyl)-1-phenylpropan-2-yl]-1-methylpyrrolidine
SMILESC[C@H]([C@H](c1ccccc1)c1cccc(F)c1F)[C@H]1CCCN1C
InChIInChI=1S/C20H23F2N/c1-14(18-12-7-13-23(18)2)19(15-8-4-3-5-9-15)16-10-6-11-17(21)20(16)22/h3-6,8-11,14,18-19H,7,12-13H2,1-2H3/t14-,18+,19+/m0/s1
InChIKeyYJLKPNSSJWBNIO-GDIGMMSISA-N
XLogP4.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.83
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-phenylpropan-2-yl]-1-methylpyrrolidine?
The IUPAC name of (2R)-2-[(1R,2R)-1-(2,3-difluorophenyl)-1-phenylpropan-2-yl]-1-methylpyrrolidine (CID 170283185) is (2R)-2-[(1R,2R)-1-(2,3-difluorophenyl)-1-phenylpropan-2-yl]-1-methylpyrrolidine.
What is the SMILES notation for (2R)-2-[(1R,2R)-1-(2,3-difluorophenyl)-1-phenylpropan-2-yl]-1-methylpyrrolidine?
The canonical SMILES for (2R)-2-[(1R,2R)-1-(2,3-difluorophenyl)-1-phenylpropan-2-yl]-1-methylpyrrolidine is C[C@H]([C@H](c1ccccc1)c1cccc(F)c1F)[C@H]1CCCN1C.
What is the InChIKey of (2R)-2-[(1R,2R)-1-(2,3-difluorophenyl)-1-phenylpropan-2-yl]-1-methylpyrrolidine?
The InChIKey is YJLKPNSSJWBNIO-GDIGMMSISA-N. The full InChI is InChI=1S/C20H23F2N/c1-14(18-12-7-13-23(18)2)19(15-8-4-3-5-9-15)16-10-6-11-17(21)20(16)22/h3-6,8-11,14,18-19H,7,12-13H2,1-2H3/t14-,18+,19+/m0/s1.
What are the key properties of (2R)-2-[(1R,2R)-1-(2,3-difluorophenyl)-1-phenylpropan-2-yl]-1-methylpyrrolidine?
(2R)-2-[(1R,2R)-1-(2,3-difluorophenyl)-1-phenylpropan-2-yl]-1-methylpyrrolidine has a molecular weight of 315.41 g/mol, XLogP of 4.83, 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-phenylpropan-2-yl]-1-methylpyrrolidine is sourced from PubChem (CID 170283185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).