2-(1-benzylpyrrolidin-3-yl)-2-(2,4-difluorophenyl)acetaldehyde

C19H19F2NO — CID 18965337

IUPAC2-(1-benzylpyrrolidin-3-yl)-2-(2,4-difluorophenyl)acetaldehyde
SMILESO=CC(c1ccc(F)cc1F)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H19F2NO/c20-16-6-7-17(19(21)10-16)18(13-23)15-8-9-22(12-15)11-14-4-2-1-3-5-14/h1-7,10,13,15,18H,8-9,11-12H2
InChIKeyFUWHMVZIEMRHLA-UHFFFAOYSA-N
MW315.36 g/mol
LogP3.77
Rot. Bonds5

About 2-(1-benzylpyrrolidin-3-yl)-2-(2,4-difluorophenyl)acetaldehyde

2-(1-benzylpyrrolidin-3-yl)-2-(2,4-difluorophenyl)acetaldehyde (PubChem CID 18965337) has the molecular formula C19H19F2NO and a molecular weight of 315.36 g/mol. Its IUPAC name is 2-(1-benzylpyrrolidin-3-yl)-2-(2,4-difluorophenyl)acetaldehyde.

Molecular Properties

Compound Name2-(1-benzylpyrrolidin-3-yl)-2-(2,4-difluorophenyl)acetaldehyde
PubChem CID18965337
Molecular FormulaC19H19F2NO
Molecular Weight315.36 g/mol
Exact Mass315.14
IUPAC Name2-(1-benzylpyrrolidin-3-yl)-2-(2,4-difluorophenyl)acetaldehyde
SMILESO=CC(c1ccc(F)cc1F)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H19F2NO/c20-16-6-7-17(19(21)10-16)18(13-23)15-8-9-22(12-15)11-14-4-2-1-3-5-14/h1-7,10,13,15,18H,8-9,11-12H2
InChIKeyFUWHMVZIEMRHLA-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-Phenyl-1-(phenylmethyl)-4-piperidinecarboxaldehyde
CID 96727
2-(2,6-Difluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 119099081
1-Benzyl-4-phenylpyrrolidin-2-one
CID 2843346
(4-Fluorophenyl)(3-phenylpyrrolidin-1-yl)methanone
CID 3709390
2-(2-Fluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 119106334
2-(2,3-Difluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 119106335
2-(4-Fluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 45555589
2-(2-Fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-YL]ethan-1-one
CID 50746983
2-(3-Fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-YL]ethan-1-one
CID 50746992
2-(4-Fluorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-YL]ethan-1-one
CID 50746993
2-(3-Fluorophenyl)-1-[2-(2-fluorophenyl)pyrrolidin-1-YL]ethan-1-one
CID 50747039
2-(4-Fluorophenyl)-1-[2-(2-fluorophenyl)pyrrolidin-1-YL]ethan-1-one
CID 50747047

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpyrrolidin-3-yl)-2-(2,4-difluorophenyl)acetaldehyde?
The IUPAC name of 2-(1-benzylpyrrolidin-3-yl)-2-(2,4-difluorophenyl)acetaldehyde (CID 18965337) is 2-(1-benzylpyrrolidin-3-yl)-2-(2,4-difluorophenyl)acetaldehyde.
What is the SMILES notation for 2-(1-benzylpyrrolidin-3-yl)-2-(2,4-difluorophenyl)acetaldehyde?
The canonical SMILES for 2-(1-benzylpyrrolidin-3-yl)-2-(2,4-difluorophenyl)acetaldehyde is O=CC(c1ccc(F)cc1F)C1CCN(Cc2ccccc2)C1.
What is the InChIKey of 2-(1-benzylpyrrolidin-3-yl)-2-(2,4-difluorophenyl)acetaldehyde?
The InChIKey is FUWHMVZIEMRHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO/c20-16-6-7-17(19(21)10-16)18(13-23)15-8-9-22(12-15)11-14-4-2-1-3-5-14/h1-7,10,13,15,18H,8-9,11-12H2.
What are the key properties of 2-(1-benzylpyrrolidin-3-yl)-2-(2,4-difluorophenyl)acetaldehyde?
2-(1-benzylpyrrolidin-3-yl)-2-(2,4-difluorophenyl)acetaldehyde has a molecular weight of 315.36 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpyrrolidin-3-yl)-2-(2,4-difluorophenyl)acetaldehyde is sourced from PubChem (CID 18965337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).