5-ethylsulfonyl-1,2-difluorocyclohexa-1,3-diene

C8H10F2O2S — CID 123692986

IUPAC5-ethylsulfonyl-1,2-difluorocyclohexa-1,3-diene
SMILESCCS(=O)(=O)C1C=CC(F)=C(F)C1
InChIInChI=1S/C8H10F2O2S/c1-2-13(11,12)6-3-4-7(9)8(10)5-6/h3-4,6H,2,5H2,1H3
InChIKeyOZQPITCZJOPXLN-UHFFFAOYSA-N
MW208.23 g/mol
LogP1.90
Rot. Bonds2

About 5-ethylsulfonyl-1,2-difluorocyclohexa-1,3-diene

5-ethylsulfonyl-1,2-difluorocyclohexa-1,3-diene (PubChem CID 123692986) has the molecular formula C8H10F2O2S and a molecular weight of 208.23 g/mol. Its IUPAC name is 5-ethylsulfonyl-1,2-difluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethylsulfonyl-1,2-difluorocyclohexa-1,3-diene
PubChem CID123692986
Molecular FormulaC8H10F2O2S
Molecular Weight208.23 g/mol
Exact Mass208.04
IUPAC Name5-ethylsulfonyl-1,2-difluorocyclohexa-1,3-diene
SMILESCCS(=O)(=O)C1C=CC(F)=C(F)C1
InChIInChI=1S/C8H10F2O2S/c1-2-13(11,12)6-3-4-7(9)8(10)5-6/h3-4,6H,2,5H2,1H3
InChIKeyOZQPITCZJOPXLN-UHFFFAOYSA-N
XLogP1.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-ethylsulfonyl-1,2-difluorocyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(5Z)-1-methyl-3,4,7,8-tetrahydro-2H-thiocin-1-yl] trifluoromethanesulfonate
CID 12577149
Methyl tetrafluorocyclohexadienyl sulfone
CID 129746768
(5Z)-1-methyl-3,4,7,8-tetrahydro-2H-thiocin-1-ium;trifluoromethanesulfonate
CID 176443703
2-(4,4-Difluorocyclohexa-1,5-dien-1-yl)sulfonyl-5,5-difluorocyclohexa-1,3-diene
CID 67573362
5-Bromo-5-butylsulfonyl-2-fluorocyclohexa-1,3-diene
CID 68564097
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
1-Methylsulfonyl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 70892344
5-Methylsulfonyl-2-propan-2-yl-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 71156549
(3E)-4-(difluoromethylsulfonyl)hexa-1,3-diene
CID 88559458
2-Fluoro-5-(methylsulfonylmethyl)cyclohexa-1,3-diene
CID 89073508

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-1,2-difluorocyclohexa-1,3-diene?
The IUPAC name of 5-ethylsulfonyl-1,2-difluorocyclohexa-1,3-diene (CID 123692986) is 5-ethylsulfonyl-1,2-difluorocyclohexa-1,3-diene.
What is the SMILES notation for 5-ethylsulfonyl-1,2-difluorocyclohexa-1,3-diene?
The canonical SMILES for 5-ethylsulfonyl-1,2-difluorocyclohexa-1,3-diene is CCS(=O)(=O)C1C=CC(F)=C(F)C1.
What is the InChIKey of 5-ethylsulfonyl-1,2-difluorocyclohexa-1,3-diene?
The InChIKey is OZQPITCZJOPXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O2S/c1-2-13(11,12)6-3-4-7(9)8(10)5-6/h3-4,6H,2,5H2,1H3.
What are the key properties of 5-ethylsulfonyl-1,2-difluorocyclohexa-1,3-diene?
5-ethylsulfonyl-1,2-difluorocyclohexa-1,3-diene has a molecular weight of 208.23 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-1,2-difluorocyclohexa-1,3-diene is sourced from PubChem (CID 123692986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).