(E)-4-(4-fluorophenyl)but-2-enal

C10H9FO — CID 57413316

IUPAC(E)-4-(4-fluorophenyl)but-2-enal
SMILESO=C/C=C/Cc1ccc(F)cc1
InChIInChI=1S/C10H9FO/c11-10-6-4-9(5-7-10)3-1-2-8-12/h1-2,4-8H,3H2/b2-1+
InChIKeyMOAVMTTXHFZNLP-OWOJBTEDSA-N
MW164.18 g/mol
LogP2.12
Rot. Bonds3

About (E)-4-(4-fluorophenyl)but-2-enal

(E)-4-(4-fluorophenyl)but-2-enal (PubChem CID 57413316) has the molecular formula C10H9FO and a molecular weight of 164.18 g/mol. Its IUPAC name is (E)-4-(4-fluorophenyl)but-2-enal.

Molecular Properties

Compound Name(E)-4-(4-fluorophenyl)but-2-enal
PubChem CID57413316
Molecular FormulaC10H9FO
Molecular Weight164.18 g/mol
Exact Mass164.06
IUPAC Name(E)-4-(4-fluorophenyl)but-2-enal
SMILESO=C/C=C/Cc1ccc(F)cc1
InChIInChI=1S/C10H9FO/c11-10-6-4-9(5-7-10)3-1-2-8-12/h1-2,4-8H,3H2/b2-1+
InChIKeyMOAVMTTXHFZNLP-OWOJBTEDSA-N
XLogP2.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-fluorophenyl)but-2-enal?
The IUPAC name of (E)-4-(4-fluorophenyl)but-2-enal (CID 57413316) is (E)-4-(4-fluorophenyl)but-2-enal.
What is the SMILES notation for (E)-4-(4-fluorophenyl)but-2-enal?
The canonical SMILES for (E)-4-(4-fluorophenyl)but-2-enal is O=C/C=C/Cc1ccc(F)cc1.
What is the InChIKey of (E)-4-(4-fluorophenyl)but-2-enal?
The InChIKey is MOAVMTTXHFZNLP-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H9FO/c11-10-6-4-9(5-7-10)3-1-2-8-12/h1-2,4-8H,3H2/b2-1+.
What are the key properties of (E)-4-(4-fluorophenyl)but-2-enal?
(E)-4-(4-fluorophenyl)but-2-enal has a molecular weight of 164.18 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-fluorophenyl)but-2-enal is sourced from PubChem (CID 57413316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).