2-fluorobut-3-enal

C4H5FO — CID 55266593

IUPAC2-fluorobut-3-enal
SMILESC=CC(F)C=O
InChIInChI=1S/C4H5FO/c1-2-4(5)3-6/h2-4H,1H2
InChIKeyWCFFFEPEUHTPSS-UHFFFAOYSA-N
MW88.08 g/mol
LogP0.71
Rot. Bonds2

About 2-fluorobut-3-enal

2-fluorobut-3-enal (PubChem CID 55266593) has the molecular formula C4H5FO and a molecular weight of 88.08 g/mol. Its IUPAC name is 2-fluorobut-3-enal.

Molecular Properties

Compound Name2-fluorobut-3-enal
PubChem CID55266593
Molecular FormulaC4H5FO
Molecular Weight88.08 g/mol
Exact Mass88.03
IUPAC Name2-fluorobut-3-enal
SMILESC=CC(F)C=O
InChIInChI=1S/C4H5FO/c1-2-4(5)3-6/h2-4H,1H2
InChIKeyWCFFFEPEUHTPSS-UHFFFAOYSA-N
XLogP0.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.08
LogP ≤ 50.71
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-fluorobut-3-enal?
The IUPAC name of 2-fluorobut-3-enal (CID 55266593) is 2-fluorobut-3-enal.
What is the SMILES notation for 2-fluorobut-3-enal?
The canonical SMILES for 2-fluorobut-3-enal is C=CC(F)C=O.
What is the InChIKey of 2-fluorobut-3-enal?
The InChIKey is WCFFFEPEUHTPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO/c1-2-4(5)3-6/h2-4H,1H2.
What are the key properties of 2-fluorobut-3-enal?
2-fluorobut-3-enal has a molecular weight of 88.08 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorobut-3-enal is sourced from PubChem (CID 55266593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).