2,5-difluoro-3-methylthiolane 1,1-dioxide

C5H8F2O2S — CID 66730119

IUPAC2,5-difluoro-3-methylthiolane 1,1-dioxide
SMILESCC1CC(F)S(=O)(=O)C1F
InChIInChI=1S/C5H8F2O2S/c1-3-2-4(6)10(8,9)5(3)7/h3-5H,2H2,1H3
InChIKeyIIQMUGJLWMKKOR-UHFFFAOYSA-N
MW170.18 g/mol
LogP1.03
Rot. Bonds

About 2,5-difluoro-3-methylthiolane 1,1-dioxide

2,5-difluoro-3-methylthiolane 1,1-dioxide (PubChem CID 66730119) has the molecular formula C5H8F2O2S and a molecular weight of 170.18 g/mol. Its IUPAC name is 2,5-difluoro-3-methylthiolane 1,1-dioxide.

Molecular Properties

Compound Name2,5-difluoro-3-methylthiolane 1,1-dioxide
PubChem CID66730119
Molecular FormulaC5H8F2O2S
Molecular Weight170.18 g/mol
Exact Mass170.02
IUPAC Name2,5-difluoro-3-methylthiolane 1,1-dioxide
SMILESCC1CC(F)S(=O)(=O)C1F
InChIInChI=1S/C5H8F2O2S/c1-3-2-4(6)10(8,9)5(3)7/h3-5H,2H2,1H3
InChIKeyIIQMUGJLWMKKOR-UHFFFAOYSA-N
XLogP1.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dimethylsulfolane
CID 70483
3-Methylsulfolane
CID 79119
3-(Trifluoromethyl)tetrahydrothiophene 1,1-dioxide
CID 67291233
(3R)-3-methylthiolane 1,1-dioxide
CID 5324725
(3S)-3-(trifluoromethyl)thiolane 1,1-dioxide
CID 162403181
Thiophene, tetrahydro-3,4-dimethyl-, 1,1-dioxide
CID 12403081
3-Methyl-1-(trifluoromethylsulfonyl)butane
CID 20755085
2-Methyl-1-(trifluoromethanesulfonyl)propane
CID 58173347
2,2-Difluoro-3-methyl-1-methylsulfonylbutane
CID 58185817
2-Methyl-1-(2,2,2-trifluoroethylsulfonyl)propane
CID 58815018
2,2,3-Trifluoro-3-methylthiolane 1,1-dioxide
CID 66729785
2,4-Difluoro-4-(fluoromethyl)thiolane 1,1-dioxide
CID 66729797

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-3-methylthiolane 1,1-dioxide?
The IUPAC name of 2,5-difluoro-3-methylthiolane 1,1-dioxide (CID 66730119) is 2,5-difluoro-3-methylthiolane 1,1-dioxide.
What is the SMILES notation for 2,5-difluoro-3-methylthiolane 1,1-dioxide?
The canonical SMILES for 2,5-difluoro-3-methylthiolane 1,1-dioxide is CC1CC(F)S(=O)(=O)C1F.
What is the InChIKey of 2,5-difluoro-3-methylthiolane 1,1-dioxide?
The InChIKey is IIQMUGJLWMKKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O2S/c1-3-2-4(6)10(8,9)5(3)7/h3-5H,2H2,1H3.
What are the key properties of 2,5-difluoro-3-methylthiolane 1,1-dioxide?
2,5-difluoro-3-methylthiolane 1,1-dioxide has a molecular weight of 170.18 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-3-methylthiolane 1,1-dioxide is sourced from PubChem (CID 66730119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).