1-benzyl-3-(2,3-difluorophenyl)-3-methoxypyrrolidine

C18H19F2NO — CID 67402723

IUPAC1-benzyl-3-(2,3-difluorophenyl)-3-methoxypyrrolidine
SMILESCOC1(c2cccc(F)c2F)CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H19F2NO/c1-22-18(15-8-5-9-16(19)17(15)20)10-11-21(13-18)12-14-6-3-2-4-7-14/h2-9H,10-13H2,1H3
InChIKeyGDNSERMSRQLKMM-UHFFFAOYSA-N
MW303.35 g/mol
LogP3.71
Rot. Bonds4

About 1-benzyl-3-(2,3-difluorophenyl)-3-methoxypyrrolidine

1-benzyl-3-(2,3-difluorophenyl)-3-methoxypyrrolidine (PubChem CID 67402723) has the molecular formula C18H19F2NO and a molecular weight of 303.35 g/mol. Its IUPAC name is 1-benzyl-3-(2,3-difluorophenyl)-3-methoxypyrrolidine.

Molecular Properties

Compound Name1-benzyl-3-(2,3-difluorophenyl)-3-methoxypyrrolidine
PubChem CID67402723
Molecular FormulaC18H19F2NO
Molecular Weight303.35 g/mol
Exact Mass303.14
IUPAC Name1-benzyl-3-(2,3-difluorophenyl)-3-methoxypyrrolidine
SMILESCOC1(c2cccc(F)c2F)CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H19F2NO/c1-22-18(15-8-5-9-16(19)17(15)20)10-11-21(13-18)12-14-6-3-2-4-7-14/h2-9H,10-13H2,1H3
InChIKeyGDNSERMSRQLKMM-UHFFFAOYSA-N
XLogP3.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2,3-difluorophenyl)-3-methoxypyrrolidine?
The IUPAC name of 1-benzyl-3-(2,3-difluorophenyl)-3-methoxypyrrolidine (CID 67402723) is 1-benzyl-3-(2,3-difluorophenyl)-3-methoxypyrrolidine.
What is the SMILES notation for 1-benzyl-3-(2,3-difluorophenyl)-3-methoxypyrrolidine?
The canonical SMILES for 1-benzyl-3-(2,3-difluorophenyl)-3-methoxypyrrolidine is COC1(c2cccc(F)c2F)CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-(2,3-difluorophenyl)-3-methoxypyrrolidine?
The InChIKey is GDNSERMSRQLKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO/c1-22-18(15-8-5-9-16(19)17(15)20)10-11-21(13-18)12-14-6-3-2-4-7-14/h2-9H,10-13H2,1H3.
What are the key properties of 1-benzyl-3-(2,3-difluorophenyl)-3-methoxypyrrolidine?
1-benzyl-3-(2,3-difluorophenyl)-3-methoxypyrrolidine has a molecular weight of 303.35 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2,3-difluorophenyl)-3-methoxypyrrolidine is sourced from PubChem (CID 67402723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).