2-ethenyl-3-fluoropent-4-enal

C7H9FO — CID 143612909

IUPAC2-ethenyl-3-fluoropent-4-enal
SMILESC=CC(F)C(C=C)C=O
InChIInChI=1S/C7H9FO/c1-3-6(5-9)7(8)4-2/h3-7H,1-2H2
InChIKeyNPBGOWDARBJHHZ-UHFFFAOYSA-N
MW128.15 g/mol
LogP1.51
Rot. Bonds4

About 2-ethenyl-3-fluoropent-4-enal

2-ethenyl-3-fluoropent-4-enal (PubChem CID 143612909) has the molecular formula C7H9FO and a molecular weight of 128.15 g/mol. Its IUPAC name is 2-ethenyl-3-fluoropent-4-enal.

Molecular Properties

Compound Name2-ethenyl-3-fluoropent-4-enal
PubChem CID143612909
Molecular FormulaC7H9FO
Molecular Weight128.15 g/mol
Exact Mass128.06
IUPAC Name2-ethenyl-3-fluoropent-4-enal
SMILESC=CC(F)C(C=C)C=O
InChIInChI=1S/C7H9FO/c1-3-6(5-9)7(8)4-2/h3-7H,1-2H2
InChIKeyNPBGOWDARBJHHZ-UHFFFAOYSA-N
XLogP1.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-fluoropent-4-enal?
The IUPAC name of 2-ethenyl-3-fluoropent-4-enal (CID 143612909) is 2-ethenyl-3-fluoropent-4-enal.
What is the SMILES notation for 2-ethenyl-3-fluoropent-4-enal?
The canonical SMILES for 2-ethenyl-3-fluoropent-4-enal is C=CC(F)C(C=C)C=O.
What is the InChIKey of 2-ethenyl-3-fluoropent-4-enal?
The InChIKey is NPBGOWDARBJHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO/c1-3-6(5-9)7(8)4-2/h3-7H,1-2H2.
What are the key properties of 2-ethenyl-3-fluoropent-4-enal?
2-ethenyl-3-fluoropent-4-enal has a molecular weight of 128.15 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-fluoropent-4-enal is sourced from PubChem (CID 143612909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).