2-(4-fluorophenyl)propanal

C9H9FO — CID 11182703

IUPAC2-(4-fluorophenyl)propanal
SMILESCC(C=O)c1ccc(F)cc1
InChIInChI=1S/C9H9FO/c1-7(6-11)8-2-4-9(10)5-3-8/h2-7H,1H3
InChIKeyAANCPBXTNIZNIJ-UHFFFAOYSA-N
MW152.17 g/mol
LogP2.13
Rot. Bonds2

About 2-(4-fluorophenyl)propanal

2-(4-fluorophenyl)propanal (PubChem CID 11182703) has the molecular formula C9H9FO and a molecular weight of 152.17 g/mol. Its IUPAC name is 2-(4-fluorophenyl)propanal.

Molecular Properties

Compound Name2-(4-fluorophenyl)propanal
PubChem CID11182703
Molecular FormulaC9H9FO
Molecular Weight152.17 g/mol
Exact Mass152.06
IUPAC Name2-(4-fluorophenyl)propanal
SMILESCC(C=O)c1ccc(F)cc1
InChIInChI=1S/C9H9FO/c1-7(6-11)8-2-4-9(10)5-3-8/h2-7H,1H3
InChIKeyAANCPBXTNIZNIJ-UHFFFAOYSA-N
XLogP2.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)propanal?
The IUPAC name of 2-(4-fluorophenyl)propanal (CID 11182703) is 2-(4-fluorophenyl)propanal.
What is the SMILES notation for 2-(4-fluorophenyl)propanal?
The canonical SMILES for 2-(4-fluorophenyl)propanal is CC(C=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)propanal?
The InChIKey is AANCPBXTNIZNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO/c1-7(6-11)8-2-4-9(10)5-3-8/h2-7H,1H3.
What are the key properties of 2-(4-fluorophenyl)propanal?
2-(4-fluorophenyl)propanal has a molecular weight of 152.17 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)propanal is sourced from PubChem (CID 11182703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).