(1-fluoro-1-prop-2-enylsulfonylprop-2-enyl) prop-2-enoate

C9H11FO4S — CID 88617279

IUPAC(1-fluoro-1-prop-2-enylsulfonylprop-2-enyl) prop-2-enoate
SMILESC=CCS(=O)(=O)C(F)(C=C)OC(=O)C=C
InChIInChI=1S/C9H11FO4S/c1-4-7-15(12,13)9(10,6-3)14-8(11)5-2/h4-6H,1-3,7H2
InChIKeyZPRNTFJBKKEBPQ-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.13
Rot. Bonds6

About (1-fluoro-1-prop-2-enylsulfonylprop-2-enyl) prop-2-enoate

(1-fluoro-1-prop-2-enylsulfonylprop-2-enyl) prop-2-enoate (PubChem CID 88617279) has the molecular formula C9H11FO4S and a molecular weight of 234.25 g/mol. Its IUPAC name is (1-fluoro-1-prop-2-enylsulfonylprop-2-enyl) prop-2-enoate.

Molecular Properties

Compound Name(1-fluoro-1-prop-2-enylsulfonylprop-2-enyl) prop-2-enoate
PubChem CID88617279
Molecular FormulaC9H11FO4S
Molecular Weight234.25 g/mol
Exact Mass234.04
IUPAC Name(1-fluoro-1-prop-2-enylsulfonylprop-2-enyl) prop-2-enoate
SMILESC=CCS(=O)(=O)C(F)(C=C)OC(=O)C=C
InChIInChI=1S/C9H11FO4S/c1-4-7-15(12,13)9(10,6-3)14-8(11)5-2/h4-6H,1-3,7H2
InChIKeyZPRNTFJBKKEBPQ-UHFFFAOYSA-N
XLogP1.13
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-fluoro-1-prop-2-enylsulfonylprop-2-enyl) prop-2-enoate?
The IUPAC name of (1-fluoro-1-prop-2-enylsulfonylprop-2-enyl) prop-2-enoate (CID 88617279) is (1-fluoro-1-prop-2-enylsulfonylprop-2-enyl) prop-2-enoate.
What is the SMILES notation for (1-fluoro-1-prop-2-enylsulfonylprop-2-enyl) prop-2-enoate?
The canonical SMILES for (1-fluoro-1-prop-2-enylsulfonylprop-2-enyl) prop-2-enoate is C=CCS(=O)(=O)C(F)(C=C)OC(=O)C=C.
What is the InChIKey of (1-fluoro-1-prop-2-enylsulfonylprop-2-enyl) prop-2-enoate?
The InChIKey is ZPRNTFJBKKEBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO4S/c1-4-7-15(12,13)9(10,6-3)14-8(11)5-2/h4-6H,1-3,7H2.
What are the key properties of (1-fluoro-1-prop-2-enylsulfonylprop-2-enyl) prop-2-enoate?
(1-fluoro-1-prop-2-enylsulfonylprop-2-enyl) prop-2-enoate has a molecular weight of 234.25 g/mol, XLogP of 1.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-1-prop-2-enylsulfonylprop-2-enyl) prop-2-enoate is sourced from PubChem (CID 88617279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).