2-[1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]acetaldehyde

C19H20FNO — CID 87550941

IUPAC2-[1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]acetaldehyde
SMILESO=CCC1CN(Cc2ccccc2)CC1c1ccc(F)cc1
InChIInChI=1S/C19H20FNO/c20-18-8-6-16(7-9-18)19-14-21(13-17(19)10-11-22)12-15-4-2-1-3-5-15/h1-9,11,17,19H,10,12-14H2
InChIKeyYGSHUWCVCGGMST-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.63
Rot. Bonds5

About 2-[1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]acetaldehyde

2-[1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]acetaldehyde (PubChem CID 87550941) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-[1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]acetaldehyde.

Molecular Properties

Compound Name2-[1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]acetaldehyde
PubChem CID87550941
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name2-[1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]acetaldehyde
SMILESO=CCC1CN(Cc2ccccc2)CC1c1ccc(F)cc1
InChIInChI=1S/C19H20FNO/c20-18-8-6-16(7-9-18)19-14-21(13-17(19)10-11-22)12-15-4-2-1-3-5-15/h1-9,11,17,19H,10,12-14H2
InChIKeyYGSHUWCVCGGMST-UHFFFAOYSA-N
XLogP3.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.63
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
1-Benzyl-4-phenylpyrrolidin-2-one
CID 2843346
(4-Fluorophenyl)(3-phenylpyrrolidin-1-yl)methanone
CID 3709390
1-Benzyl-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2849902
2-(2-Fluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 119106334
(3R,3aS,7R,7aS)-2-benzyl-7-ethyl-3-(2-fluoro-5-methylphenyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
CID 16746354
(3R,3aS,7R,7aS)-2-benzyl-3-(2-fluoro-5-methylphenyl)-7-methyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
CID 16746456
(3R,3aS,8aR)-1-Benzyl-3-(3-fluorophenyl)octahydrocyclohepta[b]pyrrol-4(1H)-one
CID 84224083
(4R)-1-benzyl-4-(4-fluorophenyl)piperidin-2-one
CID 11277555
2-(4-Fluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 45555589
1-[2-(3-Fluorophenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 50747096
(2-Fluorophenyl)(3-phenylpyrrolidin-1-yl)methanone
CID 3144498

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]acetaldehyde?
The IUPAC name of 2-[1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]acetaldehyde (CID 87550941) is 2-[1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]acetaldehyde.
What is the SMILES notation for 2-[1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]acetaldehyde?
The canonical SMILES for 2-[1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]acetaldehyde is O=CCC1CN(Cc2ccccc2)CC1c1ccc(F)cc1.
What is the InChIKey of 2-[1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]acetaldehyde?
The InChIKey is YGSHUWCVCGGMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c20-18-8-6-16(7-9-18)19-14-21(13-17(19)10-11-22)12-15-4-2-1-3-5-15/h1-9,11,17,19H,10,12-14H2.
What are the key properties of 2-[1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]acetaldehyde?
2-[1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]acetaldehyde has a molecular weight of 297.37 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]acetaldehyde is sourced from PubChem (CID 87550941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).