2-(difluoromethoxy)-5-methylsulfonylcyclohexa-1,3-diene

C8H10F2O3S — CID 162543156

IUPAC2-(difluoromethoxy)-5-methylsulfonylcyclohexa-1,3-diene
SMILESCS(=O)(=O)C1C=CC(OC(F)F)=CC1
InChIInChI=1S/C8H10F2O3S/c1-14(11,12)7-4-2-6(3-5-7)13-8(9)10/h2-4,7-8H,5H2,1H3
InChIKeyIPDSERXLRTVQCR-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.48
Rot. Bonds3

About 2-(difluoromethoxy)-5-methylsulfonylcyclohexa-1,3-diene

2-(difluoromethoxy)-5-methylsulfonylcyclohexa-1,3-diene (PubChem CID 162543156) has the molecular formula C8H10F2O3S and a molecular weight of 224.23 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-methylsulfonylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-methylsulfonylcyclohexa-1,3-diene
PubChem CID162543156
Molecular FormulaC8H10F2O3S
Molecular Weight224.23 g/mol
Exact Mass224.03
IUPAC Name2-(difluoromethoxy)-5-methylsulfonylcyclohexa-1,3-diene
SMILESCS(=O)(=O)C1C=CC(OC(F)F)=CC1
InChIInChI=1S/C8H10F2O3S/c1-14(11,12)7-4-2-6(3-5-7)13-8(9)10/h2-4,7-8H,5H2,1H3
InChIKeyIPDSERXLRTVQCR-UHFFFAOYSA-N
XLogP1.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3Z,5Z)-11-(1,1,1-trifluoropropan-2-yloxy)-2,7,8a,12a-tetrahydro-1,8lambda6-benzoxathiecine 8,8-dioxide
CID 70876547
(3E,5E)-5-(difluoromethoxy)-3-methylsulfonylhepta-1,3,5-triene
CID 143712065
2-(6-Fluoro-3-methoxycyclohexa-2,4-dien-1-yl)sulfonylacetonitrile
CID 144983219
3-Methylsulfonyl-2-(trifluoromethoxy)cyclohepta-1,3,5-triene
CID 162577398
1-Fluoro-2-methoxy-5-methylsulfanylcyclohexa-1,3-diene
CID 163868099
3-(2-Bromoethoxy)-1-fluoro-6-methylsulfonylcyclohexa-1,3-diene
CID 170059358
7-(trifluoromethoxy)-3,8a-dihydro-2H-thiochromene 1-oxide
CID 152713473
3-Methoxy-1-methylsulfinylcyclohexa-1,3-diene
CID 22622413
(5R)-2-methoxy-5-methyl-6-methylsulfonylcyclohexa-1,3-diene
CID 129196348
2-Butoxy-5-methylsulfonylcyclohexa-1,3-diene
CID 143711864
2-Methoxy-6-methylsulfonylcyclohexa-1,3-diene
CID 153643812
1,2-Dimethoxy-6-methylsulfonylcyclohexa-1,3-diene
CID 163773028

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-methylsulfonylcyclohexa-1,3-diene?
The IUPAC name of 2-(difluoromethoxy)-5-methylsulfonylcyclohexa-1,3-diene (CID 162543156) is 2-(difluoromethoxy)-5-methylsulfonylcyclohexa-1,3-diene.
What is the SMILES notation for 2-(difluoromethoxy)-5-methylsulfonylcyclohexa-1,3-diene?
The canonical SMILES for 2-(difluoromethoxy)-5-methylsulfonylcyclohexa-1,3-diene is CS(=O)(=O)C1C=CC(OC(F)F)=CC1.
What is the InChIKey of 2-(difluoromethoxy)-5-methylsulfonylcyclohexa-1,3-diene?
The InChIKey is IPDSERXLRTVQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O3S/c1-14(11,12)7-4-2-6(3-5-7)13-8(9)10/h2-4,7-8H,5H2,1H3.
What are the key properties of 2-(difluoromethoxy)-5-methylsulfonylcyclohexa-1,3-diene?
2-(difluoromethoxy)-5-methylsulfonylcyclohexa-1,3-diene has a molecular weight of 224.23 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-methylsulfonylcyclohexa-1,3-diene is sourced from PubChem (CID 162543156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).