2-fluoro-2-methylthiolane 1,1-dioxide;2-fluoro-4-methylthiolane 1,1-dioxide

C10H18F2O4S2 — CID 157288863

IUPAC2-fluoro-2-methylthiolane 1,1-dioxide;2-fluoro-4-methylthiolane 1,1-dioxide
SMILESCC1(F)CCCS1(=O)=O.CC1CC(F)S(=O)(=O)C1
InChIInChI=1S/2C5H9FO2S/c1-4-2-5(6)9(7,8)3-4;1-5(6)3-2-4-9(5,7)8/h4-5H,2-3H2,1H3;2-4H2,1H3
InChIKeyBAOFMRKGOLAGAW-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.62
Rot. Bonds

About 2-fluoro-2-methylthiolane 1,1-dioxide;2-fluoro-4-methylthiolane 1,1-dioxide

2-fluoro-2-methylthiolane 1,1-dioxide;2-fluoro-4-methylthiolane 1,1-dioxide (PubChem CID 157288863) has the molecular formula C10H18F2O4S2 and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-fluoro-2-methylthiolane 1,1-dioxide;2-fluoro-4-methylthiolane 1,1-dioxide.

Molecular Properties

Compound Name2-fluoro-2-methylthiolane 1,1-dioxide;2-fluoro-4-methylthiolane 1,1-dioxide
PubChem CID157288863
Molecular FormulaC10H18F2O4S2
Molecular Weight304.38 g/mol
Exact Mass304.06
IUPAC Name2-fluoro-2-methylthiolane 1,1-dioxide;2-fluoro-4-methylthiolane 1,1-dioxide
SMILESCC1(F)CCCS1(=O)=O.CC1CC(F)S(=O)(=O)C1
InChIInChI=1S/2C5H9FO2S/c1-4-2-5(6)9(7,8)3-4;1-5(6)3-2-4-9(5,7)8/h4-5H,2-3H2,1H3;2-4H2,1H3
InChIKeyBAOFMRKGOLAGAW-UHFFFAOYSA-N
XLogP1.62
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;3-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide
CID 158001040
2-Fluoro-3-(trifluoromethyl)thiolane 1,1-dioxide;2-(trifluoromethyl)thiolane 1,1-dioxide;3-(trifluoromethyl)thiolane 1,1-dioxide
CID 158384352
3-(Difluoromethyl)-2-fluorothiolane 1,1-dioxide;2-(difluoromethyl)thiolane 1,1-dioxide;3-(difluoromethyl)thiolane 1,1-dioxide
CID 160140073
2,2,3,4,4-Pentafluoro-3-(fluoromethyl)thiolane 1,1-dioxide;2,2,3,4,5-pentafluoro-3-(fluoromethyl)thiolane 1,1-dioxide
CID 161529243
4-(Difluoromethyl)-2,2,4,5-tetrafluorothiolane 1,1-dioxide;4-(difluoromethyl)-2,3,3,4-tetrafluorothiolane 1,1-dioxide
CID 174784857
3-(Difluoromethyl)-2,3,4,4-tetrafluorothiolane 1,1-dioxide;thiolane 1,1-dioxide
CID 175415039
2,2,4,5-Tetrafluoro-4-methylthiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-methylthiolane 1,1-dioxide
CID 175415040
2,2-Dimethylthiolane 1,1-dioxide;thiolane 1,1-dioxide
CID 67095661
2-Methylthiolane 1,1-dioxide;thiolane 1,1-dioxide
CID 70631385
2-Methyl-3-(2-methyl-1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide
CID 90401554
3,4-Dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide
CID 138473496
2-(2,3-Dimethylthiolan-2-yl)sulfonyl-2,3-dimethylthiolane
CID 141005864

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methylthiolane 1,1-dioxide;2-fluoro-4-methylthiolane 1,1-dioxide?
The IUPAC name of 2-fluoro-2-methylthiolane 1,1-dioxide;2-fluoro-4-methylthiolane 1,1-dioxide (CID 157288863) is 2-fluoro-2-methylthiolane 1,1-dioxide;2-fluoro-4-methylthiolane 1,1-dioxide.
What is the SMILES notation for 2-fluoro-2-methylthiolane 1,1-dioxide;2-fluoro-4-methylthiolane 1,1-dioxide?
The canonical SMILES for 2-fluoro-2-methylthiolane 1,1-dioxide;2-fluoro-4-methylthiolane 1,1-dioxide is CC1(F)CCCS1(=O)=O.CC1CC(F)S(=O)(=O)C1.
What is the InChIKey of 2-fluoro-2-methylthiolane 1,1-dioxide;2-fluoro-4-methylthiolane 1,1-dioxide?
The InChIKey is BAOFMRKGOLAGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H9FO2S/c1-4-2-5(6)9(7,8)3-4;1-5(6)3-2-4-9(5,7)8/h4-5H,2-3H2,1H3;2-4H2,1H3.
What are the key properties of 2-fluoro-2-methylthiolane 1,1-dioxide;2-fluoro-4-methylthiolane 1,1-dioxide?
2-fluoro-2-methylthiolane 1,1-dioxide;2-fluoro-4-methylthiolane 1,1-dioxide has a molecular weight of 304.38 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methylthiolane 1,1-dioxide;2-fluoro-4-methylthiolane 1,1-dioxide is sourced from PubChem (CID 157288863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).