(E)-4-fluorobut-2-enal

C4H5FO — CID 22119401

IUPAC(E)-4-fluorobut-2-enal
SMILESO=C/C=C/CF
InChIInChI=1S/C4H5FO/c5-3-1-2-4-6/h1-2,4H,3H2/b2-1+
InChIKeyBKQNGQBUTFQUGI-OWOJBTEDSA-N
MW88.08 g/mol
LogP0.71
Rot. Bonds2

About (E)-4-fluorobut-2-enal

(E)-4-fluorobut-2-enal (PubChem CID 22119401) has the molecular formula C4H5FO and a molecular weight of 88.08 g/mol. Its IUPAC name is (E)-4-fluorobut-2-enal.

Molecular Properties

Compound Name(E)-4-fluorobut-2-enal
PubChem CID22119401
Molecular FormulaC4H5FO
Molecular Weight88.08 g/mol
Exact Mass88.03
IUPAC Name(E)-4-fluorobut-2-enal
SMILESO=C/C=C/CF
InChIInChI=1S/C4H5FO/c5-3-1-2-4-6/h1-2,4H,3H2/b2-1+
InChIKeyBKQNGQBUTFQUGI-OWOJBTEDSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-4-fluorobut-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Crotonaldehyde
CID 447466
Crotonaldehyde, (2Z)-
CID 643950
2,4-Pentadienal
CID 5986428
But-2-enal
CID 20138
Penta-2,4-dienal
CID 61208
Malealdehyde
CID 5323604
Fumaraldehyde
CID 5287477
cis-2,4-Pentadienal
CID 5356697
(2Z)-2-fluorobut-2-enal
CID 643145
Butenedial
CID 75389
4,4,4-Trifluoro-but-2-enal
CID 53755079
2-Fluorobut-2-enal
CID 54228963

Frequently Asked Questions

What is the IUPAC name of (E)-4-fluorobut-2-enal?
The IUPAC name of (E)-4-fluorobut-2-enal (CID 22119401) is (E)-4-fluorobut-2-enal.
What is the SMILES notation for (E)-4-fluorobut-2-enal?
The canonical SMILES for (E)-4-fluorobut-2-enal is O=C/C=C/CF.
What is the InChIKey of (E)-4-fluorobut-2-enal?
The InChIKey is BKQNGQBUTFQUGI-OWOJBTEDSA-N. The full InChI is InChI=1S/C4H5FO/c5-3-1-2-4-6/h1-2,4H,3H2/b2-1+.
What are the key properties of (E)-4-fluorobut-2-enal?
(E)-4-fluorobut-2-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 (E)-4-fluorobut-2-enal is sourced from PubChem (CID 22119401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).