(Z)-2-fluorobut-2-enoic acid

C4H5FO2 — CID 15594782

IUPAC(Z)-2-fluorobut-2-enoic acid
SMILESC/C=C(\F)C(=O)O
InChIInChI=1S/C4H5FO2/c1-2-3(5)4(6)7/h2H,1H3,(H,6,7)/b3-2-
InChIKeyLWCDSJZGNUDNCO-IHWYPQMZSA-N
MW104.08 g/mol
LogP0.94
Rot. Bonds1

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

(Z)-2-fluorobut-2-enoic acid (PubChem CID 15594782) has the molecular formula C4H5FO2 and a molecular weight of 104.08 g/mol. Its IUPAC name is (Z)-2-fluorobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-fluorobut-2-enoic acid
PubChem CID15594782
Molecular FormulaC4H5FO2
Molecular Weight104.08 g/mol
Exact Mass104.03
IUPAC Name(Z)-2-fluorobut-2-enoic acid
SMILESC/C=C(\F)C(=O)O
InChIInChI=1S/C4H5FO2/c1-2-3(5)4(6)7/h2H,1H3,(H,6,7)/b3-2-
InChIKeyLWCDSJZGNUDNCO-IHWYPQMZSA-N
XLogP0.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.08
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-enoic acid?
The IUPAC name of (Z)-2-fluorobut-2-enoic acid (CID 15594782) is (Z)-2-fluorobut-2-enoic acid.
What is the SMILES notation for (Z)-2-fluorobut-2-enoic acid?
The canonical SMILES for (Z)-2-fluorobut-2-enoic acid is C/C=C(\F)C(=O)O.
What is the InChIKey of (Z)-2-fluorobut-2-enoic acid?
The InChIKey is LWCDSJZGNUDNCO-IHWYPQMZSA-N. The full InChI is InChI=1S/C4H5FO2/c1-2-3(5)4(6)7/h2H,1H3,(H,6,7)/b3-2-.
What are the key properties of (Z)-2-fluorobut-2-enoic acid?
(Z)-2-fluorobut-2-enoic acid has a molecular weight of 104.08 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluorobut-2-enoic acid is sourced from PubChem (CID 15594782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).