5-fluoro-5-(1-fluorocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-1,3-diene

C12H12F2O2S — CID 69315128

IUPAC5-fluoro-5-(1-fluorocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-1,3-diene
SMILESO=S(=O)(C1(F)C=CC=CC1)C1(F)C=CC=CC1
InChIInChI=1S/C12H12F2O2S/c13-11(7-3-1-4-8-11)17(15,16)12(14)9-5-2-6-10-12/h1-7,9H,8,10H2
InChIKeyLVYFKGHPJVMHTD-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.77
Rot. Bonds2

About 5-fluoro-5-(1-fluorocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-1,3-diene

5-fluoro-5-(1-fluorocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-1,3-diene (PubChem CID 69315128) has the molecular formula C12H12F2O2S and a molecular weight of 258.29 g/mol. Its IUPAC name is 5-fluoro-5-(1-fluorocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-fluoro-5-(1-fluorocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-1,3-diene
PubChem CID69315128
Molecular FormulaC12H12F2O2S
Molecular Weight258.29 g/mol
Exact Mass258.05
IUPAC Name5-fluoro-5-(1-fluorocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-1,3-diene
SMILESO=S(=O)(C1(F)C=CC=CC1)C1(F)C=CC=CC1
InChIInChI=1S/C12H12F2O2S/c13-11(7-3-1-4-8-11)17(15,16)12(14)9-5-2-6-10-12/h1-7,9H,8,10H2
InChIKeyLVYFKGHPJVMHTD-UHFFFAOYSA-N
XLogP2.77
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclohexa-1,3-dien-1-ylsulfonylcyclohexa-1,3-diene
CID 123142155
2-(Trifluoromethylsulfonyl)cyclohexa-1,3-diene
CID 10976761
6-[Bromo(fluoro)methylidene]-1-[6-[bromo(fluoro)methylidene]cyclohexa-1,3-dien-1-yl]sulfonylcyclohexa-1,3-diene
CID 53938423
2-(4,4-Difluorocyclohexa-1,5-dien-1-yl)sulfonyl-5,5-difluorocyclohexa-1,3-diene
CID 67573362
1-Flourophenyl methyl sulfone
CID 69311758
5-Ethylsulfonyl-5-fluorocyclohexa-1,3-diene
CID 69312973
5-Fluoro-5-propan-2-ylsulfonylcyclohexa-1,3-diene
CID 69315024
3,5-Difluoro-1-methylsulfonylcyclohexa-1,3-diene
CID 89073523
2,5-Difluoro-1-methylsulfonylcyclohexa-1,3-diene
CID 89073524
6-Fluoro-1-methylsulfonylcyclohexa-1,3-diene
CID 89073534
5-Fluoro-1-methylsulfonylcyclohexa-1,3-diene
CID 89073615
1-Methylsulfonyl-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 90826503

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-5-(1-fluorocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-1,3-diene?
The IUPAC name of 5-fluoro-5-(1-fluorocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-1,3-diene (CID 69315128) is 5-fluoro-5-(1-fluorocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-1,3-diene.
What is the SMILES notation for 5-fluoro-5-(1-fluorocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-1,3-diene?
The canonical SMILES for 5-fluoro-5-(1-fluorocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-1,3-diene is O=S(=O)(C1(F)C=CC=CC1)C1(F)C=CC=CC1.
What is the InChIKey of 5-fluoro-5-(1-fluorocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-1,3-diene?
The InChIKey is LVYFKGHPJVMHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O2S/c13-11(7-3-1-4-8-11)17(15,16)12(14)9-5-2-6-10-12/h1-7,9H,8,10H2.
What are the key properties of 5-fluoro-5-(1-fluorocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-1,3-diene?
5-fluoro-5-(1-fluorocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-1,3-diene has a molecular weight of 258.29 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-5-(1-fluorocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-1,3-diene is sourced from PubChem (CID 69315128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).