2,5-difluoro-3-methylthiolane 1,1-dioxide;3,4-difluoro-3-methylthiolane 1,1-dioxide

C10H16F4O4S2 — CID 159520555

IUPAC2,5-difluoro-3-methylthiolane 1,1-dioxide;3,4-difluoro-3-methylthiolane 1,1-dioxide
SMILESCC1(F)CS(=O)(=O)CC1F.CC1CC(F)S(=O)(=O)C1F
InChIInChI=1S/2C5H8F2O2S/c1-5(7)3-10(8,9)2-4(5)6;1-3-2-4(6)10(8,9)5(3)7/h4H,2-3H2,1H3;3-5H,2H2,1H3
InChIKeyMBSZQMQNIINCTN-UHFFFAOYSA-N
MW340.36 g/mol
LogP1.51
Rot. Bonds

About 2,5-difluoro-3-methylthiolane 1,1-dioxide;3,4-difluoro-3-methylthiolane 1,1-dioxide

2,5-difluoro-3-methylthiolane 1,1-dioxide;3,4-difluoro-3-methylthiolane 1,1-dioxide (PubChem CID 159520555) has the molecular formula C10H16F4O4S2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 2,5-difluoro-3-methylthiolane 1,1-dioxide;3,4-difluoro-3-methylthiolane 1,1-dioxide.

Molecular Properties

Compound Name2,5-difluoro-3-methylthiolane 1,1-dioxide;3,4-difluoro-3-methylthiolane 1,1-dioxide
PubChem CID159520555
Molecular FormulaC10H16F4O4S2
Molecular Weight340.36 g/mol
Exact Mass340.04
IUPAC Name2,5-difluoro-3-methylthiolane 1,1-dioxide;3,4-difluoro-3-methylthiolane 1,1-dioxide
SMILESCC1(F)CS(=O)(=O)CC1F.CC1CC(F)S(=O)(=O)C1F
InChIInChI=1S/2C5H8F2O2S/c1-5(7)3-10(8,9)2-4(5)6;1-3-2-4(6)10(8,9)5(3)7/h4H,2-3H2,1H3;3-5H,2H2,1H3
InChIKeyMBSZQMQNIINCTN-UHFFFAOYSA-N
XLogP1.51
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 51.51
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
2,2,4,5-Tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide
CID 174784959
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
3,4-Dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide
CID 138473496
3-Fluoro-4-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide
CID 157168370
2-Fluoro-3-(fluoromethyl)thiolane 1,1-dioxide;2-(fluoromethyl)thiolane 1,1-dioxide;3-(fluoromethyl)thiolane 1,1-dioxide
CID 157283597
2-Fluoro-2-methylthiolane 1,1-dioxide;2-fluoro-4-methylthiolane 1,1-dioxide
CID 157288863

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-3-methylthiolane 1,1-dioxide;3,4-difluoro-3-methylthiolane 1,1-dioxide?
The IUPAC name of 2,5-difluoro-3-methylthiolane 1,1-dioxide;3,4-difluoro-3-methylthiolane 1,1-dioxide (CID 159520555) is 2,5-difluoro-3-methylthiolane 1,1-dioxide;3,4-difluoro-3-methylthiolane 1,1-dioxide.
What is the SMILES notation for 2,5-difluoro-3-methylthiolane 1,1-dioxide;3,4-difluoro-3-methylthiolane 1,1-dioxide?
The canonical SMILES for 2,5-difluoro-3-methylthiolane 1,1-dioxide;3,4-difluoro-3-methylthiolane 1,1-dioxide is CC1(F)CS(=O)(=O)CC1F.CC1CC(F)S(=O)(=O)C1F.
What is the InChIKey of 2,5-difluoro-3-methylthiolane 1,1-dioxide;3,4-difluoro-3-methylthiolane 1,1-dioxide?
The InChIKey is MBSZQMQNIINCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H8F2O2S/c1-5(7)3-10(8,9)2-4(5)6;1-3-2-4(6)10(8,9)5(3)7/h4H,2-3H2,1H3;3-5H,2H2,1H3.
What are the key properties of 2,5-difluoro-3-methylthiolane 1,1-dioxide;3,4-difluoro-3-methylthiolane 1,1-dioxide?
2,5-difluoro-3-methylthiolane 1,1-dioxide;3,4-difluoro-3-methylthiolane 1,1-dioxide has a molecular weight of 340.36 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-3-methylthiolane 1,1-dioxide;3,4-difluoro-3-methylthiolane 1,1-dioxide is sourced from PubChem (CID 159520555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).