5-ethenyl-2-(4-fluorophenyl)benzenesulfonyl fluoride

C14H10F2O2S — CID 171990087

IUPAC5-ethenyl-2-(4-fluorophenyl)benzenesulfonyl fluoride
SMILESC=Cc1ccc(-c2ccc(F)cc2)c(S(=O)(=O)F)c1
InChIInChI=1S/C14H10F2O2S/c1-2-10-3-8-13(14(9-10)19(16,17)18)11-4-6-12(15)7-5-11/h2-9H,1H2
InChIKeyMQJHQMCLOCTCPF-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.79
Rot. Bonds3

About 5-ethenyl-2-(4-fluorophenyl)benzenesulfonyl fluoride

5-ethenyl-2-(4-fluorophenyl)benzenesulfonyl fluoride (PubChem CID 171990087) has the molecular formula C14H10F2O2S and a molecular weight of 280.30 g/mol. Its IUPAC name is 5-ethenyl-2-(4-fluorophenyl)benzenesulfonyl fluoride.

Molecular Properties

Compound Name5-ethenyl-2-(4-fluorophenyl)benzenesulfonyl fluoride
PubChem CID171990087
Molecular FormulaC14H10F2O2S
Molecular Weight280.30 g/mol
Exact Mass280.04
IUPAC Name5-ethenyl-2-(4-fluorophenyl)benzenesulfonyl fluoride
SMILESC=Cc1ccc(-c2ccc(F)cc2)c(S(=O)(=O)F)c1
InChIInChI=1S/C14H10F2O2S/c1-2-10-3-8-13(14(9-10)19(16,17)18)11-4-6-12(15)7-5-11/h2-9H,1H2
InChIKeyMQJHQMCLOCTCPF-UHFFFAOYSA-N
XLogP3.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-(4-fluorophenyl)benzenesulfonyl fluoride?
The IUPAC name of 5-ethenyl-2-(4-fluorophenyl)benzenesulfonyl fluoride (CID 171990087) is 5-ethenyl-2-(4-fluorophenyl)benzenesulfonyl fluoride.
What is the SMILES notation for 5-ethenyl-2-(4-fluorophenyl)benzenesulfonyl fluoride?
The canonical SMILES for 5-ethenyl-2-(4-fluorophenyl)benzenesulfonyl fluoride is C=Cc1ccc(-c2ccc(F)cc2)c(S(=O)(=O)F)c1.
What is the InChIKey of 5-ethenyl-2-(4-fluorophenyl)benzenesulfonyl fluoride?
The InChIKey is MQJHQMCLOCTCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2S/c1-2-10-3-8-13(14(9-10)19(16,17)18)11-4-6-12(15)7-5-11/h2-9H,1H2.
What are the key properties of 5-ethenyl-2-(4-fluorophenyl)benzenesulfonyl fluoride?
5-ethenyl-2-(4-fluorophenyl)benzenesulfonyl fluoride has a molecular weight of 280.30 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-(4-fluorophenyl)benzenesulfonyl fluoride is sourced from PubChem (CID 171990087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).