6-ethyl-4,4-difluoro-5-methyl-2,3-dihydrothiopyran 1,1-dioxide

C8H12F2O2S — CID 171501323

IUPAC6-ethyl-4,4-difluoro-5-methyl-2,3-dihydrothiopyran 1,1-dioxide
SMILESCCC1=C(C)C(F)(F)CCS1(=O)=O
InChIInChI=1S/C8H12F2O2S/c1-3-7-6(2)8(9,10)4-5-13(7,11)12/h3-5H2,1-2H3
InChIKeyYBZYULGTNKLMCC-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.12
Rot. Bonds1

About 6-ethyl-4,4-difluoro-5-methyl-2,3-dihydrothiopyran 1,1-dioxide

6-ethyl-4,4-difluoro-5-methyl-2,3-dihydrothiopyran 1,1-dioxide (PubChem CID 171501323) has the molecular formula C8H12F2O2S and a molecular weight of 210.24 g/mol. Its IUPAC name is 6-ethyl-4,4-difluoro-5-methyl-2,3-dihydrothiopyran 1,1-dioxide.

Molecular Properties

Compound Name6-ethyl-4,4-difluoro-5-methyl-2,3-dihydrothiopyran 1,1-dioxide
PubChem CID171501323
Molecular FormulaC8H12F2O2S
Molecular Weight210.24 g/mol
Exact Mass210.05
IUPAC Name6-ethyl-4,4-difluoro-5-methyl-2,3-dihydrothiopyran 1,1-dioxide
SMILESCCC1=C(C)C(F)(F)CCS1(=O)=O
InChIInChI=1S/C8H12F2O2S/c1-3-7-6(2)8(9,10)4-5-13(7,11)12/h3-5H2,1-2H3
InChIKeyYBZYULGTNKLMCC-UHFFFAOYSA-N
XLogP2.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Difluoromethyl)-4,5-dimethyl-2-propylsulfinylcyclohexa-1,4-diene
CID 10868653
2,4-Dimethyl-1-(2,2,2-trifluoroethylsulfinyl)cyclohexa-1,4-diene
CID 91326080
(1E)-2,6-dimethyl-1-(3,3,3-trifluoropropylsulfonyl)hepta-1,5-diene
CID 159499096
1-(Difluoromethylsulfonyl)-4-methylcyclohexa-1,3-diene
CID 163903338
1-(Trifluoromethylsulfonylmethyl)cyclohexene
CID 10911302
1,4-Cyclohexadiene, 1-(difluoromethyl)-4,5-dimethyl-2-(propylsulfonyl)-
CID 11807551
5-Methylsulfonyl-1,3-bis(trifluoromethyl)cyclohexa-1,3-diene
CID 162588350
5,6-dimethyl-3,4-dihydro-2H-thiopyran 1,1-dioxide
CID 13330835
4-Propan-2-ylidenethiane 1,1-dioxide
CID 89041781

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4,4-difluoro-5-methyl-2,3-dihydrothiopyran 1,1-dioxide?
The IUPAC name of 6-ethyl-4,4-difluoro-5-methyl-2,3-dihydrothiopyran 1,1-dioxide (CID 171501323) is 6-ethyl-4,4-difluoro-5-methyl-2,3-dihydrothiopyran 1,1-dioxide.
What is the SMILES notation for 6-ethyl-4,4-difluoro-5-methyl-2,3-dihydrothiopyran 1,1-dioxide?
The canonical SMILES for 6-ethyl-4,4-difluoro-5-methyl-2,3-dihydrothiopyran 1,1-dioxide is CCC1=C(C)C(F)(F)CCS1(=O)=O.
What is the InChIKey of 6-ethyl-4,4-difluoro-5-methyl-2,3-dihydrothiopyran 1,1-dioxide?
The InChIKey is YBZYULGTNKLMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O2S/c1-3-7-6(2)8(9,10)4-5-13(7,11)12/h3-5H2,1-2H3.
What are the key properties of 6-ethyl-4,4-difluoro-5-methyl-2,3-dihydrothiopyran 1,1-dioxide?
6-ethyl-4,4-difluoro-5-methyl-2,3-dihydrothiopyran 1,1-dioxide has a molecular weight of 210.24 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4,4-difluoro-5-methyl-2,3-dihydrothiopyran 1,1-dioxide is sourced from PubChem (CID 171501323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).