ethyl (Z)-3-fluoro-3-thiophen-2-ylprop-2-enoate

C9H9FO2S — CID 138978244

IUPACethyl (Z)-3-fluoro-3-thiophen-2-ylprop-2-enoate
SMILESCCOC(=O)/C=C(\F)c1cccs1
InChIInChI=1S/C9H9FO2S/c1-2-12-9(11)6-7(10)8-4-3-5-13-8/h3-6H,2H2,1H3/b7-6-
InChIKeyLWYSUNZQAVKOLY-SREVYHEPSA-N
MW200.23 g/mol
LogP2.62
Rot. Bonds3

About ethyl (Z)-3-fluoro-3-thiophen-2-ylprop-2-enoate

ethyl (Z)-3-fluoro-3-thiophen-2-ylprop-2-enoate (PubChem CID 138978244) has the molecular formula C9H9FO2S and a molecular weight of 200.23 g/mol. Its IUPAC name is ethyl (Z)-3-fluoro-3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-fluoro-3-thiophen-2-ylprop-2-enoate
PubChem CID138978244
Molecular FormulaC9H9FO2S
Molecular Weight200.23 g/mol
Exact Mass200.03
IUPAC Nameethyl (Z)-3-fluoro-3-thiophen-2-ylprop-2-enoate
SMILESCCOC(=O)/C=C(\F)c1cccs1
InChIInChI=1S/C9H9FO2S/c1-2-12-9(11)6-7(10)8-4-3-5-13-8/h3-6H,2H2,1H3/b7-6-
InChIKeyLWYSUNZQAVKOLY-SREVYHEPSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-3-fluoro-3-thiophen-2-ylprop-2-enoate?
The IUPAC name of ethyl (Z)-3-fluoro-3-thiophen-2-ylprop-2-enoate (CID 138978244) is ethyl (Z)-3-fluoro-3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-fluoro-3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-fluoro-3-thiophen-2-ylprop-2-enoate is CCOC(=O)/C=C(\F)c1cccs1.
What is the InChIKey of ethyl (Z)-3-fluoro-3-thiophen-2-ylprop-2-enoate?
The InChIKey is LWYSUNZQAVKOLY-SREVYHEPSA-N. The full InChI is InChI=1S/C9H9FO2S/c1-2-12-9(11)6-7(10)8-4-3-5-13-8/h3-6H,2H2,1H3/b7-6-.
What are the key properties of ethyl (Z)-3-fluoro-3-thiophen-2-ylprop-2-enoate?
ethyl (Z)-3-fluoro-3-thiophen-2-ylprop-2-enoate has a molecular weight of 200.23 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-fluoro-3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 138978244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).