(2S,4R)-1-benzyl-2-(fluoromethyl)-4-phenylmethoxypyrrolidine

C19H22FNO — CID 166154112

IUPAC(2S,4R)-1-benzyl-2-(fluoromethyl)-4-phenylmethoxypyrrolidine
SMILESFC[C@@H]1C[C@@H](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/t18-,19+/m0/s1
InChIKeySHLWXBYRSDIOGO-RBUKOAKNSA-N
MW299.39 g/mol
LogP3.82
Rot. Bonds6

About (2S,4R)-1-benzyl-2-(fluoromethyl)-4-phenylmethoxypyrrolidine

(2S,4R)-1-benzyl-2-(fluoromethyl)-4-phenylmethoxypyrrolidine (PubChem CID 166154112) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is (2S,4R)-1-benzyl-2-(fluoromethyl)-4-phenylmethoxypyrrolidine.

Molecular Properties

Compound Name(2S,4R)-1-benzyl-2-(fluoromethyl)-4-phenylmethoxypyrrolidine
PubChem CID166154112
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Name(2S,4R)-1-benzyl-2-(fluoromethyl)-4-phenylmethoxypyrrolidine
SMILESFC[C@@H]1C[C@@H](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/t18-,19+/m0/s1
InChIKeySHLWXBYRSDIOGO-RBUKOAKNSA-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 (2S,4R)-1-benzyl-2-(fluoromethyl)-4-phenylmethoxypyrrolidine?
The IUPAC name of (2S,4R)-1-benzyl-2-(fluoromethyl)-4-phenylmethoxypyrrolidine (CID 166154112) is (2S,4R)-1-benzyl-2-(fluoromethyl)-4-phenylmethoxypyrrolidine.
What is the SMILES notation for (2S,4R)-1-benzyl-2-(fluoromethyl)-4-phenylmethoxypyrrolidine?
The canonical SMILES for (2S,4R)-1-benzyl-2-(fluoromethyl)-4-phenylmethoxypyrrolidine is FC[C@@H]1C[C@@H](OCc2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of (2S,4R)-1-benzyl-2-(fluoromethyl)-4-phenylmethoxypyrrolidine?
The InChIKey is SHLWXBYRSDIOGO-RBUKOAKNSA-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/t18-,19+/m0/s1.
What are the key properties of (2S,4R)-1-benzyl-2-(fluoromethyl)-4-phenylmethoxypyrrolidine?
(2S,4R)-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 (2S,4R)-1-benzyl-2-(fluoromethyl)-4-phenylmethoxypyrrolidine is sourced from PubChem (CID 166154112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).