(E)-2-(3-fluorophenyl)ethenesulfonyl fluoride

C8H6F2O2S — CID 155511492

IUPAC(E)-2-(3-fluorophenyl)ethenesulfonyl fluoride
SMILESO=S(=O)(F)/C=C/c1cccc(F)c1
InChIInChI=1S/C8H6F2O2S/c9-8-3-1-2-7(6-8)4-5-13(10,11)12/h1-6H/b5-4+
InChIKeyCKYCXLDBRBIQIN-SNAWJCMRSA-N
MW204.20 g/mol
LogP2.10
Rot. Bonds2

About (E)-2-(3-fluorophenyl)ethenesulfonyl fluoride

(E)-2-(3-fluorophenyl)ethenesulfonyl fluoride (PubChem CID 155511492) has the molecular formula C8H6F2O2S and a molecular weight of 204.20 g/mol. Its IUPAC name is (E)-2-(3-fluorophenyl)ethenesulfonyl fluoride.

Molecular Properties

Compound Name(E)-2-(3-fluorophenyl)ethenesulfonyl fluoride
PubChem CID155511492
Molecular FormulaC8H6F2O2S
Molecular Weight204.20 g/mol
Exact Mass204.01
IUPAC Name(E)-2-(3-fluorophenyl)ethenesulfonyl fluoride
SMILESO=S(=O)(F)/C=C/c1cccc(F)c1
InChIInChI=1S/C8H6F2O2S/c9-8-3-1-2-7(6-8)4-5-13(10,11)12/h1-6H/b5-4+
InChIKeyCKYCXLDBRBIQIN-SNAWJCMRSA-N
XLogP2.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(3-fluorophenyl)ethenesulfonyl fluoride?
The IUPAC name of (E)-2-(3-fluorophenyl)ethenesulfonyl fluoride (CID 155511492) is (E)-2-(3-fluorophenyl)ethenesulfonyl fluoride.
What is the SMILES notation for (E)-2-(3-fluorophenyl)ethenesulfonyl fluoride?
The canonical SMILES for (E)-2-(3-fluorophenyl)ethenesulfonyl fluoride is O=S(=O)(F)/C=C/c1cccc(F)c1.
What is the InChIKey of (E)-2-(3-fluorophenyl)ethenesulfonyl fluoride?
The InChIKey is CKYCXLDBRBIQIN-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H6F2O2S/c9-8-3-1-2-7(6-8)4-5-13(10,11)12/h1-6H/b5-4+.
What are the key properties of (E)-2-(3-fluorophenyl)ethenesulfonyl fluoride?
(E)-2-(3-fluorophenyl)ethenesulfonyl fluoride has a molecular weight of 204.20 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3-fluorophenyl)ethenesulfonyl fluoride is sourced from PubChem (CID 155511492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).