3-fluorothiolane 1,1-dioxide

C4H7FO2S — CID 11171005

IUPAC3-fluorothiolane 1,1-dioxide
SMILESO=S1(=O)CCC(F)C1
InChIInChI=1S/C4H7FO2S/c5-4-1-2-8(6,7)3-4/h4H,1-3H2
InChIKeyXJGPLRYWAYTWSQ-UHFFFAOYSA-N
MW138.16 g/mol
LogP0.14
Rot. Bonds

About 3-fluorothiolane 1,1-dioxide

3-fluorothiolane 1,1-dioxide (PubChem CID 11171005) has the molecular formula C4H7FO2S and a molecular weight of 138.16 g/mol. Its IUPAC name is 3-fluorothiolane 1,1-dioxide.

Molecular Properties

Compound Name3-fluorothiolane 1,1-dioxide
PubChem CID11171005
Molecular FormulaC4H7FO2S
Molecular Weight138.16 g/mol
Exact Mass138.02
IUPAC Name3-fluorothiolane 1,1-dioxide
SMILESO=S1(=O)CCC(F)C1
InChIInChI=1S/C4H7FO2S/c5-4-1-2-8(6,7)3-4/h4H,1-3H2
InChIKeyXJGPLRYWAYTWSQ-UHFFFAOYSA-N
XLogP0.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.16
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Sulfolane
CID 31347
Tetramethylene-D8 sulfone
CID 2733922
(3S,4R)-3,4-difluorothiolane 1,1-dioxide
CID 100930637
3,4-Difluorothiolane 1,1-dioxide
CID 14613666
(3R,4R)-3,4-difluorothiolane 1,1-dioxide
CID 14613667
Tetrahydrothiophene 1,1-dioxide hydrate
CID 69115191
Sulpholane-d2
CID 129670923
Thiophene, 3,3-difluorotetrahydro-, 1,1-dioxide
CID 11240618
Thiophene, 2-fluorotetrahydro-, 1,1-dioxide
CID 11367024
1-Ethylsulfonyl-3-fluoropropane
CID 59155197
2,2,4-Trifluorothiolane 1,1-dioxide
CID 59228904
3-Fluorothiolane 1-oxide
CID 59776075

Frequently Asked Questions

What is the IUPAC name of 3-fluorothiolane 1,1-dioxide?
The IUPAC name of 3-fluorothiolane 1,1-dioxide (CID 11171005) is 3-fluorothiolane 1,1-dioxide.
What is the SMILES notation for 3-fluorothiolane 1,1-dioxide?
The canonical SMILES for 3-fluorothiolane 1,1-dioxide is O=S1(=O)CCC(F)C1.
What is the InChIKey of 3-fluorothiolane 1,1-dioxide?
The InChIKey is XJGPLRYWAYTWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO2S/c5-4-1-2-8(6,7)3-4/h4H,1-3H2.
What are the key properties of 3-fluorothiolane 1,1-dioxide?
3-fluorothiolane 1,1-dioxide has a molecular weight of 138.16 g/mol, XLogP of 0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorothiolane 1,1-dioxide is sourced from PubChem (CID 11171005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).