(E)-2-fluorobut-2-enal

C4H5FO — CID 19090867

IUPAC(E)-2-fluorobut-2-enal
SMILESC/C=C(/F)C=O
InChIInChI=1S/C4H5FO/c1-2-4(5)3-6/h2-3H,1H3/b4-2+
InChIKeyQHVYVQRIAQVFIB-DUXPYHPUSA-N
MW88.08 g/mol
LogP1.06
Rot. Bonds1

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

(E)-2-fluorobut-2-enal (PubChem CID 19090867) has the molecular formula C4H5FO and a molecular weight of 88.08 g/mol. Its IUPAC name is (E)-2-fluorobut-2-enal.

Molecular Properties

Compound Name(E)-2-fluorobut-2-enal
PubChem CID19090867
Molecular FormulaC4H5FO
Molecular Weight88.08 g/mol
Exact Mass88.03
IUPAC Name(E)-2-fluorobut-2-enal
SMILESC/C=C(/F)C=O
InChIInChI=1S/C4H5FO/c1-2-4(5)3-6/h2-3H,1H3/b4-2+
InChIKeyQHVYVQRIAQVFIB-DUXPYHPUSA-N
XLogP1.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.08
LogP ≤ 51.06
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)-2-fluorobut-2-enal?
The IUPAC name of (E)-2-fluorobut-2-enal (CID 19090867) is (E)-2-fluorobut-2-enal.
What is the SMILES notation for (E)-2-fluorobut-2-enal?
The canonical SMILES for (E)-2-fluorobut-2-enal is C/C=C(/F)C=O.
What is the InChIKey of (E)-2-fluorobut-2-enal?
The InChIKey is QHVYVQRIAQVFIB-DUXPYHPUSA-N. The full InChI is InChI=1S/C4H5FO/c1-2-4(5)3-6/h2-3H,1H3/b4-2+.
What are the key properties of (E)-2-fluorobut-2-enal?
(E)-2-fluorobut-2-enal has a molecular weight of 88.08 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluorobut-2-enal is sourced from PubChem (CID 19090867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).