(E)-2-phenylethenesulfonyl fluoride

C8H7FO2S — CID 5357730

IUPAC(E)-2-phenylethenesulfonyl fluoride
SMILESO=S(=O)(F)/C=C/c1ccccc1
InChIInChI=1S/C8H7FO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
InChIKeyVDCNEIUADPFQPG-VOTSOKGWSA-N
MW186.21 g/mol
LogP1.96
Rot. Bonds2

About (E)-2-phenylethenesulfonyl fluoride

(E)-2-phenylethenesulfonyl fluoride (PubChem CID 5357730) has the molecular formula C8H7FO2S and a molecular weight of 186.21 g/mol. Its IUPAC name is (E)-2-phenylethenesulfonyl fluoride.

Molecular Properties

Compound Name(E)-2-phenylethenesulfonyl fluoride
PubChem CID5357730
Molecular FormulaC8H7FO2S
Molecular Weight186.21 g/mol
Exact Mass186.02
IUPAC Name(E)-2-phenylethenesulfonyl fluoride
SMILESO=S(=O)(F)/C=C/c1ccccc1
InChIInChI=1S/C8H7FO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
InChIKeyVDCNEIUADPFQPG-VOTSOKGWSA-N
XLogP1.96
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-phenylethenesulfonyl fluoride?
The IUPAC name of (E)-2-phenylethenesulfonyl fluoride (CID 5357730) is (E)-2-phenylethenesulfonyl fluoride.
What is the SMILES notation for (E)-2-phenylethenesulfonyl fluoride?
The canonical SMILES for (E)-2-phenylethenesulfonyl fluoride is O=S(=O)(F)/C=C/c1ccccc1.
What is the InChIKey of (E)-2-phenylethenesulfonyl fluoride?
The InChIKey is VDCNEIUADPFQPG-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H7FO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+.
What are the key properties of (E)-2-phenylethenesulfonyl fluoride?
(E)-2-phenylethenesulfonyl fluoride has a molecular weight of 186.21 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-phenylethenesulfonyl fluoride is sourced from PubChem (CID 5357730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).