2-fluorobut-2-enal

C4H5FO — CID 54228963

IUPAC2-fluorobut-2-enal
SMILESCC=C(F)C=O
InChIInChI=1S/C4H5FO/c1-2-4(5)3-6/h2-3H,1H3
InChIKeyQHVYVQRIAQVFIB-UHFFFAOYSA-N
MW88.08 g/mol
LogP1.06
Rot. Bonds1

About 2-fluorobut-2-enal

2-fluorobut-2-enal (PubChem CID 54228963) has the molecular formula C4H5FO and a molecular weight of 88.08 g/mol. Its IUPAC name is 2-fluorobut-2-enal.

Molecular Properties

Compound Name2-fluorobut-2-enal
PubChem CID54228963
Molecular FormulaC4H5FO
Molecular Weight88.08 g/mol
Exact Mass88.03
IUPAC Name2-fluorobut-2-enal
SMILESCC=C(F)C=O
InChIInChI=1S/C4H5FO/c1-2-4(5)3-6/h2-3H,1H3
InChIKeyQHVYVQRIAQVFIB-UHFFFAOYSA-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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Related Compounds

Crotonaldehyde
CID 447466
Crotonaldehyde, (2Z)-
CID 643950
But-2-enal
CID 20138
2-Fluoropent-2-enal
CID 643015
(2Z)-2-fluorobut-2-enal
CID 643145
CID 91562895
CID 91562895
(E)-2-fluoropent-2-enal
CID 13149197
(E)-2-fluorobut-2-enal
CID 19090867
4-Fluorobut-2-enal
CID 22119401
CID 53687140
CID 53687140
CID 54303006
CID 54303006
(E)-4-fluoro-3-methylbut-2-enal
CID 89032096

Frequently Asked Questions

What is the IUPAC name of 2-fluorobut-2-enal?
The IUPAC name of 2-fluorobut-2-enal (CID 54228963) is 2-fluorobut-2-enal.
What is the SMILES notation for 2-fluorobut-2-enal?
The canonical SMILES for 2-fluorobut-2-enal is CC=C(F)C=O.
What is the InChIKey of 2-fluorobut-2-enal?
The InChIKey is QHVYVQRIAQVFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO/c1-2-4(5)3-6/h2-3H,1H3.
What are the key properties of 2-fluorobut-2-enal?
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 2-fluorobut-2-enal is sourced from PubChem (CID 54228963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).