1-benzyl-2-(fluoromethyl)-4-phenylmethoxypyrrolidine

C19H22FNO — CID 175487527

IUPAC1-benzyl-2-(fluoromethyl)-4-phenylmethoxypyrrolidine
SMILESFCC1CC(OCc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C19H22FNO/c20-12-18-11-19(22-15-17-9-5-2-6-10-17)14-21(18)13-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2
InChIKeySHLWXBYRSDIOGO-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.82
Rot. Bonds6

About 1-benzyl-2-(fluoromethyl)-4-phenylmethoxypyrrolidine

1-benzyl-2-(fluoromethyl)-4-phenylmethoxypyrrolidine (PubChem CID 175487527) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-benzyl-2-(fluoromethyl)-4-phenylmethoxypyrrolidine.

Molecular Properties

Compound Name1-benzyl-2-(fluoromethyl)-4-phenylmethoxypyrrolidine
PubChem CID175487527
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Name1-benzyl-2-(fluoromethyl)-4-phenylmethoxypyrrolidine
SMILESFCC1CC(OCc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C19H22FNO/c20-12-18-11-19(22-15-17-9-5-2-6-10-17)14-21(18)13-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2
InChIKeySHLWXBYRSDIOGO-UHFFFAOYSA-N
XLogP3.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(fluoromethyl)-4-phenylmethoxypyrrolidine?
The IUPAC name of 1-benzyl-2-(fluoromethyl)-4-phenylmethoxypyrrolidine (CID 175487527) is 1-benzyl-2-(fluoromethyl)-4-phenylmethoxypyrrolidine.
What is the SMILES notation for 1-benzyl-2-(fluoromethyl)-4-phenylmethoxypyrrolidine?
The canonical SMILES for 1-benzyl-2-(fluoromethyl)-4-phenylmethoxypyrrolidine is FCC1CC(OCc2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-(fluoromethyl)-4-phenylmethoxypyrrolidine?
The InChIKey is SHLWXBYRSDIOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO/c20-12-18-11-19(22-15-17-9-5-2-6-10-17)14-21(18)13-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2.
What are the key properties of 1-benzyl-2-(fluoromethyl)-4-phenylmethoxypyrrolidine?
1-benzyl-2-(fluoromethyl)-4-phenylmethoxypyrrolidine has a molecular weight of 299.39 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(fluoromethyl)-4-phenylmethoxypyrrolidine is sourced from PubChem (CID 175487527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).