3-ethenyl-3-fluoropent-4-enal

C7H9FO — CID 168961586

IUPAC3-ethenyl-3-fluoropent-4-enal
SMILESC=CC(F)(C=C)CC=O
InChIInChI=1S/C7H9FO/c1-3-7(8,4-2)5-6-9/h3-4,6H,1-2,5H2
InChIKeyBQZMFRFIWRPUMP-UHFFFAOYSA-N
MW128.15 g/mol
LogP1.66
Rot. Bonds4

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

3-ethenyl-3-fluoropent-4-enal (PubChem CID 168961586) has the molecular formula C7H9FO and a molecular weight of 128.15 g/mol. Its IUPAC name is 3-ethenyl-3-fluoropent-4-enal.

Molecular Properties

Compound Name3-ethenyl-3-fluoropent-4-enal
PubChem CID168961586
Molecular FormulaC7H9FO
Molecular Weight128.15 g/mol
Exact Mass128.06
IUPAC Name3-ethenyl-3-fluoropent-4-enal
SMILESC=CC(F)(C=C)CC=O
InChIInChI=1S/C7H9FO/c1-3-7(8,4-2)5-6-9/h3-4,6H,1-2,5H2
InChIKeyBQZMFRFIWRPUMP-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
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 3-ethenyl-3-fluoropent-4-enal?
The IUPAC name of 3-ethenyl-3-fluoropent-4-enal (CID 168961586) is 3-ethenyl-3-fluoropent-4-enal.
What is the SMILES notation for 3-ethenyl-3-fluoropent-4-enal?
The canonical SMILES for 3-ethenyl-3-fluoropent-4-enal is C=CC(F)(C=C)CC=O.
What is the InChIKey of 3-ethenyl-3-fluoropent-4-enal?
The InChIKey is BQZMFRFIWRPUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO/c1-3-7(8,4-2)5-6-9/h3-4,6H,1-2,5H2.
What are the key properties of 3-ethenyl-3-fluoropent-4-enal?
3-ethenyl-3-fluoropent-4-enal has a molecular weight of 128.15 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3-fluoropent-4-enal is sourced from PubChem (CID 168961586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).