(E)-2-(3-propan-2-ylphenyl)ethenesulfonyl fluoride

C11H13FO2S — CID 155528233

IUPAC(E)-2-(3-propan-2-ylphenyl)ethenesulfonyl fluoride
SMILESCC(C)c1cccc(/C=C/S(=O)(=O)F)c1
InChIInChI=1S/C11H13FO2S/c1-9(2)11-5-3-4-10(8-11)6-7-15(12,13)14/h3-9H,1-2H3/b7-6+
InChIKeyIJVBEXNNUGOYGY-VOTSOKGWSA-N
MW228.29 g/mol
LogP3.08
Rot. Bonds3

About (E)-2-(3-propan-2-ylphenyl)ethenesulfonyl fluoride

(E)-2-(3-propan-2-ylphenyl)ethenesulfonyl fluoride (PubChem CID 155528233) has the molecular formula C11H13FO2S and a molecular weight of 228.29 g/mol. Its IUPAC name is (E)-2-(3-propan-2-ylphenyl)ethenesulfonyl fluoride.

Molecular Properties

Compound Name(E)-2-(3-propan-2-ylphenyl)ethenesulfonyl fluoride
PubChem CID155528233
Molecular FormulaC11H13FO2S
Molecular Weight228.29 g/mol
Exact Mass228.06
IUPAC Name(E)-2-(3-propan-2-ylphenyl)ethenesulfonyl fluoride
SMILESCC(C)c1cccc(/C=C/S(=O)(=O)F)c1
InChIInChI=1S/C11H13FO2S/c1-9(2)11-5-3-4-10(8-11)6-7-15(12,13)14/h3-9H,1-2H3/b7-6+
InChIKeyIJVBEXNNUGOYGY-VOTSOKGWSA-N
XLogP3.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(3-propan-2-ylphenyl)ethenesulfonyl fluoride?
The IUPAC name of (E)-2-(3-propan-2-ylphenyl)ethenesulfonyl fluoride (CID 155528233) is (E)-2-(3-propan-2-ylphenyl)ethenesulfonyl fluoride.
What is the SMILES notation for (E)-2-(3-propan-2-ylphenyl)ethenesulfonyl fluoride?
The canonical SMILES for (E)-2-(3-propan-2-ylphenyl)ethenesulfonyl fluoride is CC(C)c1cccc(/C=C/S(=O)(=O)F)c1.
What is the InChIKey of (E)-2-(3-propan-2-ylphenyl)ethenesulfonyl fluoride?
The InChIKey is IJVBEXNNUGOYGY-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H13FO2S/c1-9(2)11-5-3-4-10(8-11)6-7-15(12,13)14/h3-9H,1-2H3/b7-6+.
What are the key properties of (E)-2-(3-propan-2-ylphenyl)ethenesulfonyl fluoride?
(E)-2-(3-propan-2-ylphenyl)ethenesulfonyl fluoride has a molecular weight of 228.29 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3-propan-2-ylphenyl)ethenesulfonyl fluoride is sourced from PubChem (CID 155528233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).