(E)-2-(4-tert-butylphenyl)ethenesulfonyl fluoride

C12H15FO2S — CID 164670696

IUPAC(E)-2-(4-tert-butylphenyl)ethenesulfonyl fluoride
SMILESCC(C)(C)c1ccc(/C=C/S(=O)(=O)F)cc1
InChIInChI=1S/C12H15FO2S/c1-12(2,3)11-6-4-10(5-7-11)8-9-16(13,14)15/h4-9H,1-3H3/b9-8+
InChIKeyUCGHAQZNFIDVRO-CMDGGOBGSA-N
MW242.31 g/mol
LogP3.25
Rot. Bonds2

About (E)-2-(4-tert-butylphenyl)ethenesulfonyl fluoride

(E)-2-(4-tert-butylphenyl)ethenesulfonyl fluoride (PubChem CID 164670696) has the molecular formula C12H15FO2S and a molecular weight of 242.31 g/mol. Its IUPAC name is (E)-2-(4-tert-butylphenyl)ethenesulfonyl fluoride.

Molecular Properties

Compound Name(E)-2-(4-tert-butylphenyl)ethenesulfonyl fluoride
PubChem CID164670696
Molecular FormulaC12H15FO2S
Molecular Weight242.31 g/mol
Exact Mass242.08
IUPAC Name(E)-2-(4-tert-butylphenyl)ethenesulfonyl fluoride
SMILESCC(C)(C)c1ccc(/C=C/S(=O)(=O)F)cc1
InChIInChI=1S/C12H15FO2S/c1-12(2,3)11-6-4-10(5-7-11)8-9-16(13,14)15/h4-9H,1-3H3/b9-8+
InChIKeyUCGHAQZNFIDVRO-CMDGGOBGSA-N
XLogP3.25
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-tert-butylphenyl)ethenesulfonyl fluoride?
The IUPAC name of (E)-2-(4-tert-butylphenyl)ethenesulfonyl fluoride (CID 164670696) is (E)-2-(4-tert-butylphenyl)ethenesulfonyl fluoride.
What is the SMILES notation for (E)-2-(4-tert-butylphenyl)ethenesulfonyl fluoride?
The canonical SMILES for (E)-2-(4-tert-butylphenyl)ethenesulfonyl fluoride is CC(C)(C)c1ccc(/C=C/S(=O)(=O)F)cc1.
What is the InChIKey of (E)-2-(4-tert-butylphenyl)ethenesulfonyl fluoride?
The InChIKey is UCGHAQZNFIDVRO-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H15FO2S/c1-12(2,3)11-6-4-10(5-7-11)8-9-16(13,14)15/h4-9H,1-3H3/b9-8+.
What are the key properties of (E)-2-(4-tert-butylphenyl)ethenesulfonyl fluoride?
(E)-2-(4-tert-butylphenyl)ethenesulfonyl fluoride has a molecular weight of 242.31 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-tert-butylphenyl)ethenesulfonyl fluoride is sourced from PubChem (CID 164670696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).