1-benzyl-3-(3-fluorophenyl)-3-methoxypyrrolidine

C18H20FNO — CID 67402272

IUPAC1-benzyl-3-(3-fluorophenyl)-3-methoxypyrrolidine
SMILESCOC1(c2cccc(F)c2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H20FNO/c1-21-18(16-8-5-9-17(19)12-16)10-11-20(14-18)13-15-6-3-2-4-7-15/h2-9,12H,10-11,13-14H2,1H3
InChIKeyPHRQQHPGSKIDSL-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.57
Rot. Bonds4

About 1-benzyl-3-(3-fluorophenyl)-3-methoxypyrrolidine

1-benzyl-3-(3-fluorophenyl)-3-methoxypyrrolidine (PubChem CID 67402272) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-benzyl-3-(3-fluorophenyl)-3-methoxypyrrolidine.

Molecular Properties

Compound Name1-benzyl-3-(3-fluorophenyl)-3-methoxypyrrolidine
PubChem CID67402272
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name1-benzyl-3-(3-fluorophenyl)-3-methoxypyrrolidine
SMILESCOC1(c2cccc(F)c2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H20FNO/c1-21-18(16-8-5-9-17(19)12-16)10-11-20(14-18)13-15-6-3-2-4-7-15/h2-9,12H,10-11,13-14H2,1H3
InChIKeyPHRQQHPGSKIDSL-UHFFFAOYSA-N
XLogP3.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-fluorophenyl)-3-methoxypyrrolidine?
The IUPAC name of 1-benzyl-3-(3-fluorophenyl)-3-methoxypyrrolidine (CID 67402272) is 1-benzyl-3-(3-fluorophenyl)-3-methoxypyrrolidine.
What is the SMILES notation for 1-benzyl-3-(3-fluorophenyl)-3-methoxypyrrolidine?
The canonical SMILES for 1-benzyl-3-(3-fluorophenyl)-3-methoxypyrrolidine is COC1(c2cccc(F)c2)CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-(3-fluorophenyl)-3-methoxypyrrolidine?
The InChIKey is PHRQQHPGSKIDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-21-18(16-8-5-9-17(19)12-16)10-11-20(14-18)13-15-6-3-2-4-7-15/h2-9,12H,10-11,13-14H2,1H3.
What are the key properties of 1-benzyl-3-(3-fluorophenyl)-3-methoxypyrrolidine?
1-benzyl-3-(3-fluorophenyl)-3-methoxypyrrolidine has a molecular weight of 285.36 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-fluorophenyl)-3-methoxypyrrolidine is sourced from PubChem (CID 67402272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).