2-fluoro-3,5-dimethylthiolane 1,1-dioxide

C6H11FO2S — CID 66729940

IUPAC2-fluoro-3,5-dimethylthiolane 1,1-dioxide
SMILESCC1CC(C)S(=O)(=O)C1F
InChIInChI=1S/C6H11FO2S/c1-4-3-5(2)10(8,9)6(4)7/h4-6H,3H2,1-2H3
InChIKeyYPHRNLNAUJKYMQ-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.13
Rot. Bonds

About 2-fluoro-3,5-dimethylthiolane 1,1-dioxide

2-fluoro-3,5-dimethylthiolane 1,1-dioxide (PubChem CID 66729940) has the molecular formula C6H11FO2S and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-fluoro-3,5-dimethylthiolane 1,1-dioxide.

Molecular Properties

Compound Name2-fluoro-3,5-dimethylthiolane 1,1-dioxide
PubChem CID66729940
Molecular FormulaC6H11FO2S
Molecular Weight166.22 g/mol
Exact Mass166.05
IUPAC Name2-fluoro-3,5-dimethylthiolane 1,1-dioxide
SMILESCC1CC(C)S(=O)(=O)C1F
InChIInChI=1S/C6H11FO2S/c1-4-3-5(2)10(8,9)6(4)7/h4-6H,3H2,1-2H3
InChIKeyYPHRNLNAUJKYMQ-UHFFFAOYSA-N
XLogP1.13
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dimethylsulfolane
CID 70483
3-Methylsulfolane
CID 79119
Dimethylsulfolan
CID 22262471
(3R)-3-methylthiolane 1,1-dioxide
CID 5324725
Thiophene, tetrahydro-3,4-dimethyl-, 1,1-dioxide
CID 12403081
2-Propan-2-ylthiolane 1,1-dioxide
CID 13525644
2-Methyl-1-(trifluoromethylsulfonyl)pentane
CID 57231089
(1R,2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane 1-oxide
CID 58320973
2,3,5-Trifluoro-4-methylthiolane 1,1-dioxide
CID 66729808
3,3-Difluoro-4-methylthiolane 1,1-dioxide
CID 66729840
2,2,5-Trifluoro-3-methylthiolane 1,1-dioxide
CID 66729845
2,5-Difluoro-3-(fluoromethyl)thiolane 1,1-dioxide
CID 66729860

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,5-dimethylthiolane 1,1-dioxide?
The IUPAC name of 2-fluoro-3,5-dimethylthiolane 1,1-dioxide (CID 66729940) is 2-fluoro-3,5-dimethylthiolane 1,1-dioxide.
What is the SMILES notation for 2-fluoro-3,5-dimethylthiolane 1,1-dioxide?
The canonical SMILES for 2-fluoro-3,5-dimethylthiolane 1,1-dioxide is CC1CC(C)S(=O)(=O)C1F.
What is the InChIKey of 2-fluoro-3,5-dimethylthiolane 1,1-dioxide?
The InChIKey is YPHRNLNAUJKYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO2S/c1-4-3-5(2)10(8,9)6(4)7/h4-6H,3H2,1-2H3.
What are the key properties of 2-fluoro-3,5-dimethylthiolane 1,1-dioxide?
2-fluoro-3,5-dimethylthiolane 1,1-dioxide has a molecular weight of 166.22 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,5-dimethylthiolane 1,1-dioxide is sourced from PubChem (CID 66729940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).