2-amino-3-(4-fluorophenyl)propanal

C9H10FNO — CID 18402048

IUPAC2-amino-3-(4-fluorophenyl)propanal
SMILESNC(C=O)Cc1ccc(F)cc1
InChIInChI=1S/C9H10FNO/c10-8-3-1-7(2-4-8)5-9(11)6-12/h1-4,6,9H,5,11H2
InChIKeyOKDWVOUALKQVRO-UHFFFAOYSA-N
MW167.18 g/mol
LogP0.89
Rot. Bonds3

About 2-amino-3-(4-fluorophenyl)propanal

2-amino-3-(4-fluorophenyl)propanal (PubChem CID 18402048) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 2-amino-3-(4-fluorophenyl)propanal.

Molecular Properties

Compound Name2-amino-3-(4-fluorophenyl)propanal
PubChem CID18402048
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name2-amino-3-(4-fluorophenyl)propanal
SMILESNC(C=O)Cc1ccc(F)cc1
InChIInChI=1S/C9H10FNO/c10-8-3-1-7(2-4-8)5-9(11)6-12/h1-4,6,9H,5,11H2
InChIKeyOKDWVOUALKQVRO-UHFFFAOYSA-N
XLogP0.89
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-3-(4-fluorophenyl)propanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-fluorophenyl)propanal?
The IUPAC name of 2-amino-3-(4-fluorophenyl)propanal (CID 18402048) is 2-amino-3-(4-fluorophenyl)propanal.
What is the SMILES notation for 2-amino-3-(4-fluorophenyl)propanal?
The canonical SMILES for 2-amino-3-(4-fluorophenyl)propanal is NC(C=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-amino-3-(4-fluorophenyl)propanal?
The InChIKey is OKDWVOUALKQVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c10-8-3-1-7(2-4-8)5-9(11)6-12/h1-4,6,9H,5,11H2.
What are the key properties of 2-amino-3-(4-fluorophenyl)propanal?
2-amino-3-(4-fluorophenyl)propanal has a molecular weight of 167.18 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-fluorophenyl)propanal is sourced from PubChem (CID 18402048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).