(Z)-2-fluorobut-2-enal

C4H5FO — CID 643145

IUPAC(Z)-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-RQOWECAXSA-N
MW88.08 g/mol
LogP1.06
Rot. Bonds1

About (Z)-2-fluorobut-2-enal

(Z)-2-fluorobut-2-enal (PubChem CID 643145) has the molecular formula C4H5FO and a molecular weight of 88.08 g/mol. Its IUPAC name is (Z)-2-fluorobut-2-enal.

Molecular Properties

Compound Name(Z)-2-fluorobut-2-enal
PubChem CID643145
Molecular FormulaC4H5FO
Molecular Weight88.08 g/mol
Exact Mass88.03
IUPAC Name(Z)-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-RQOWECAXSA-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

(E)-2-fluorobut-2-enal
CID 19090867
2-fluoro-4-methylpent-2-enal
CID 123781468
ethene;(2E,4Z)-3-fluorohexa-2,4-diene
CID 143779998
(E,4S)-2-fluoro-4,5-dimethylhex-2-enal
CID 58304535
(E)-2,4,4-trifluorobut-2-enal
CID 168983603
(2E,4Z,6E)-3-fluoro-6-methylocta-2,4,6-triene
CID 134192246
(2E)-3-fluorohepta-2,4-diene
CID 143797404
(2Z,4E)-4-fluorohexa-2,4-dienethial
CID 146259187
2-fluorooct-2-enal
CID 130783642
acetaldehyde;methanol
CID 19366238
(2E,4Z,6Z)-2,6-difluoroocta-2,4,6-triene
CID 143576318
(E)-2-fluoro-N-methylbut-2-en-1-imine
CID 91188405

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluorobut-2-enal?
The IUPAC name of (Z)-2-fluorobut-2-enal (CID 643145) is (Z)-2-fluorobut-2-enal.
What is the SMILES notation for (Z)-2-fluorobut-2-enal?
The canonical SMILES for (Z)-2-fluorobut-2-enal is C/C=C(\F)C=O.
What is the InChIKey of (Z)-2-fluorobut-2-enal?
The InChIKey is QHVYVQRIAQVFIB-RQOWECAXSA-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 (Z)-2-fluorobut-2-enal?
(Z)-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 (Z)-2-fluorobut-2-enal is sourced from PubChem (CID 643145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).