(Z)-2-fluorobut-2-enedioic acid

C4H3FO4 — CID 5385354

IUPAC(Z)-2-fluorobut-2-enedioic acid
SMILESO=C(O)/C=C(\F)C(=O)O
InChIInChI=1S/C4H3FO4/c5-2(4(8)9)1-3(6)7/h1H,(H,6,7)(H,8,9)/b2-1-
InChIKeyOISKHJXTRQPMQT-UPHRSURJSA-N
MW134.06 g/mol
LogP0.01
Rot. Bonds2

About (Z)-2-fluorobut-2-enedioic acid

(Z)-2-fluorobut-2-enedioic acid (PubChem CID 5385354) has the molecular formula C4H3FO4 and a molecular weight of 134.06 g/mol. Its IUPAC name is (Z)-2-fluorobut-2-enedioic acid.

Molecular Properties

Compound Name(Z)-2-fluorobut-2-enedioic acid
PubChem CID5385354
Molecular FormulaC4H3FO4
Molecular Weight134.06 g/mol
Exact Mass134.00
IUPAC Name(Z)-2-fluorobut-2-enedioic acid
SMILESO=C(O)/C=C(\F)C(=O)O
InChIInChI=1S/C4H3FO4/c5-2(4(8)9)1-3(6)7/h1H,(H,6,7)(H,8,9)/b2-1-
InChIKeyOISKHJXTRQPMQT-UPHRSURJSA-N
XLogP0.01
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.06
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluorobut-2-enedioic acid?
The IUPAC name of (Z)-2-fluorobut-2-enedioic acid (CID 5385354) is (Z)-2-fluorobut-2-enedioic acid.
What is the SMILES notation for (Z)-2-fluorobut-2-enedioic acid?
The canonical SMILES for (Z)-2-fluorobut-2-enedioic acid is O=C(O)/C=C(\F)C(=O)O.
What is the InChIKey of (Z)-2-fluorobut-2-enedioic acid?
The InChIKey is OISKHJXTRQPMQT-UPHRSURJSA-N. The full InChI is InChI=1S/C4H3FO4/c5-2(4(8)9)1-3(6)7/h1H,(H,6,7)(H,8,9)/b2-1-.
What are the key properties of (Z)-2-fluorobut-2-enedioic acid?
(Z)-2-fluorobut-2-enedioic acid has a molecular weight of 134.06 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluorobut-2-enedioic acid is sourced from PubChem (CID 5385354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).