ethyl (Z)-2-fluorobut-2-enoate

C6H9FO2 — CID 15594784

IUPACethyl (Z)-2-fluorobut-2-enoate
SMILESC/C=C(\F)C(=O)OCC
InChIInChI=1S/C6H9FO2/c1-3-5(7)6(8)9-4-2/h3H,4H2,1-2H3/b5-3-
InChIKeyQLHGLYDXAPYODR-HYXAFXHYSA-N
MW132.13 g/mol
LogP1.42
Rot. Bonds2

About ethyl (Z)-2-fluorobut-2-enoate

ethyl (Z)-2-fluorobut-2-enoate (PubChem CID 15594784) has the molecular formula C6H9FO2 and a molecular weight of 132.13 g/mol. Its IUPAC name is ethyl (Z)-2-fluorobut-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-fluorobut-2-enoate
PubChem CID15594784
Molecular FormulaC6H9FO2
Molecular Weight132.13 g/mol
Exact Mass132.06
IUPAC Nameethyl (Z)-2-fluorobut-2-enoate
SMILESC/C=C(\F)C(=O)OCC
InChIInChI=1S/C6H9FO2/c1-3-5(7)6(8)9-4-2/h3H,4H2,1-2H3/b5-3-
InChIKeyQLHGLYDXAPYODR-HYXAFXHYSA-N
XLogP1.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 51.42
H-Bond Donors ≤ 50
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 ethyl (Z)-2-fluorobut-2-enoate?
The IUPAC name of ethyl (Z)-2-fluorobut-2-enoate (CID 15594784) is ethyl (Z)-2-fluorobut-2-enoate.
What is the SMILES notation for ethyl (Z)-2-fluorobut-2-enoate?
The canonical SMILES for ethyl (Z)-2-fluorobut-2-enoate is C/C=C(\F)C(=O)OCC.
What is the InChIKey of ethyl (Z)-2-fluorobut-2-enoate?
The InChIKey is QLHGLYDXAPYODR-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H9FO2/c1-3-5(7)6(8)9-4-2/h3H,4H2,1-2H3/b5-3-.
What are the key properties of ethyl (Z)-2-fluorobut-2-enoate?
ethyl (Z)-2-fluorobut-2-enoate has a molecular weight of 132.13 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-fluorobut-2-enoate is sourced from PubChem (CID 15594784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).