(3S,4R)-3,4-difluorothiolane 1,1-dioxide

C4H6F2O2S — CID 100930637

IUPAC(3S,4R)-3,4-difluorothiolane 1,1-dioxide
SMILESO=S1(=O)C[C@@H](F)[C@@H](F)C1
InChIInChI=1S/C4H6F2O2S/c5-3-1-9(7,8)2-4(3)6/h3-4H,1-2H2/t3-,4+
InChIKeyLJZOTWHYNFQPJO-ZXZARUISSA-N
MW156.15 g/mol
LogP0.09
Rot. Bonds

About (3S,4R)-3,4-difluorothiolane 1,1-dioxide

(3S,4R)-3,4-difluorothiolane 1,1-dioxide (PubChem CID 100930637) has the molecular formula C4H6F2O2S and a molecular weight of 156.15 g/mol. Its IUPAC name is (3S,4R)-3,4-difluorothiolane 1,1-dioxide.

Molecular Properties

Compound Name(3S,4R)-3,4-difluorothiolane 1,1-dioxide
PubChem CID100930637
Molecular FormulaC4H6F2O2S
Molecular Weight156.15 g/mol
Exact Mass156.01
IUPAC Name(3S,4R)-3,4-difluorothiolane 1,1-dioxide
SMILESO=S1(=O)C[C@@H](F)[C@@H](F)C1
InChIInChI=1S/C4H6F2O2S/c5-3-1-9(7,8)2-4(3)6/h3-4H,1-2H2/t3-,4+
InChIKeyLJZOTWHYNFQPJO-ZXZARUISSA-N
XLogP0.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Sulfolane
CID 31347
Tetramethylene-D8 sulfone
CID 2733922
1,1,2,2-Tetrafluoro-3-(2,2,3,3-tetrafluoropropylsulfonyl)propane
CID 132839263
3-(Trifluoromethyl)tetrahydrothiophene 1,1-dioxide
CID 67291233
Tetrafluoro-propyl sulfone
CID 87624456
3,4-Difluorothiolane 1,1-dioxide
CID 14613666
(3R,4R)-3,4-difluorothiolane 1,1-dioxide
CID 14613667
(3S)-3-(trifluoromethyl)thiolane 1,1-dioxide
CID 162403181
Sulpholane-d2
CID 129670923
Thiophene, 3-fluorotetrahydro-, 1,1-dioxide
CID 11171005
Thiophene, 3,3-difluorotetrahydro-, 1,1-dioxide
CID 11240618
Thiophene, 2-fluorotetrahydro-, 1,1-dioxide
CID 11367024

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3,4-difluorothiolane 1,1-dioxide?
The IUPAC name of (3S,4R)-3,4-difluorothiolane 1,1-dioxide (CID 100930637) is (3S,4R)-3,4-difluorothiolane 1,1-dioxide.
What is the SMILES notation for (3S,4R)-3,4-difluorothiolane 1,1-dioxide?
The canonical SMILES for (3S,4R)-3,4-difluorothiolane 1,1-dioxide is O=S1(=O)C[C@@H](F)[C@@H](F)C1.
What is the InChIKey of (3S,4R)-3,4-difluorothiolane 1,1-dioxide?
The InChIKey is LJZOTWHYNFQPJO-ZXZARUISSA-N. The full InChI is InChI=1S/C4H6F2O2S/c5-3-1-9(7,8)2-4(3)6/h3-4H,1-2H2/t3-,4+.
What are the key properties of (3S,4R)-3,4-difluorothiolane 1,1-dioxide?
(3S,4R)-3,4-difluorothiolane 1,1-dioxide has a molecular weight of 156.15 g/mol, XLogP of 0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,4-difluorothiolane 1,1-dioxide is sourced from PubChem (CID 100930637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).