5-ethenylsulfonyl-5-fluorocyclohexa-1,3-diene

C8H9FO2S — CID 137365271

IUPAC5-ethenylsulfonyl-5-fluorocyclohexa-1,3-diene
SMILESC=CS(=O)(=O)C1(F)C=CC=CC1
InChIInChI=1S/C8H9FO2S/c1-2-12(10,11)8(9)6-4-3-5-7-8/h2-6H,1,7H2
InChIKeyZGUUHKWMPGPTNW-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.73
Rot. Bonds2

About 5-ethenylsulfonyl-5-fluorocyclohexa-1,3-diene

5-ethenylsulfonyl-5-fluorocyclohexa-1,3-diene (PubChem CID 137365271) has the molecular formula C8H9FO2S and a molecular weight of 188.22 g/mol. Its IUPAC name is 5-ethenylsulfonyl-5-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethenylsulfonyl-5-fluorocyclohexa-1,3-diene
PubChem CID137365271
Molecular FormulaC8H9FO2S
Molecular Weight188.22 g/mol
Exact Mass188.03
IUPAC Name5-ethenylsulfonyl-5-fluorocyclohexa-1,3-diene
SMILESC=CS(=O)(=O)C1(F)C=CC=CC1
InChIInChI=1S/C8H9FO2S/c1-2-12(10,11)8(9)6-4-3-5-7-8/h2-6H,1,7H2
InChIKeyZGUUHKWMPGPTNW-UHFFFAOYSA-N
XLogP1.73
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenylsulfonyl-5-fluorocyclohexa-1,3-diene?
The IUPAC name of 5-ethenylsulfonyl-5-fluorocyclohexa-1,3-diene (CID 137365271) is 5-ethenylsulfonyl-5-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 5-ethenylsulfonyl-5-fluorocyclohexa-1,3-diene?
The canonical SMILES for 5-ethenylsulfonyl-5-fluorocyclohexa-1,3-diene is C=CS(=O)(=O)C1(F)C=CC=CC1.
What is the InChIKey of 5-ethenylsulfonyl-5-fluorocyclohexa-1,3-diene?
The InChIKey is ZGUUHKWMPGPTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO2S/c1-2-12(10,11)8(9)6-4-3-5-7-8/h2-6H,1,7H2.
What are the key properties of 5-ethenylsulfonyl-5-fluorocyclohexa-1,3-diene?
5-ethenylsulfonyl-5-fluorocyclohexa-1,3-diene has a molecular weight of 188.22 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenylsulfonyl-5-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 137365271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).