3-(difluoromethyl)-2,3,4,4-tetrafluorothiolane 1,1-dioxide;thiolane 1,1-dioxide

C9H12F6O4S2 — CID 175415039

IUPAC3-(difluoromethyl)-2,3,4,4-tetrafluorothiolane 1,1-dioxide;thiolane 1,1-dioxide
SMILESO=S1(=O)CC(F)(F)C(F)(C(F)F)C1F.O=S1(=O)CCCC1
InChIInChI=1S/C5H4F6O2S.C4H8O2S/c6-2(7)5(11)3(8)14(12,13)1-4(5,9)10;5-7(6)3-1-2-4-7/h2-3H,1H2;1-4H2
InChIKeyXMWXCZSUBDBQCU-UHFFFAOYSA-N
MW362.31 g/mol
LogP1.51
Rot. Bonds1

About 3-(difluoromethyl)-2,3,4,4-tetrafluorothiolane 1,1-dioxide;thiolane 1,1-dioxide

3-(difluoromethyl)-2,3,4,4-tetrafluorothiolane 1,1-dioxide;thiolane 1,1-dioxide (PubChem CID 175415039) has the molecular formula C9H12F6O4S2 and a molecular weight of 362.31 g/mol. Its IUPAC name is 3-(difluoromethyl)-2,3,4,4-tetrafluorothiolane 1,1-dioxide;thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(difluoromethyl)-2,3,4,4-tetrafluorothiolane 1,1-dioxide;thiolane 1,1-dioxide
PubChem CID175415039
Molecular FormulaC9H12F6O4S2
Molecular Weight362.31 g/mol
Exact Mass362.01
IUPAC Name3-(difluoromethyl)-2,3,4,4-tetrafluorothiolane 1,1-dioxide;thiolane 1,1-dioxide
SMILESO=S1(=O)CC(F)(F)C(F)(C(F)F)C1F.O=S1(=O)CCCC1
InChIInChI=1S/C5H4F6O2S.C4H8O2S/c6-2(7)5(11)3(8)14(12,13)1-4(5,9)10;5-7(6)3-1-2-4-7/h2-3H,1H2;1-4H2
InChIKeyXMWXCZSUBDBQCU-UHFFFAOYSA-N
XLogP1.51
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2,3,4,4-tetrafluorothiolane 1,1-dioxide;thiolane 1,1-dioxide?
The IUPAC name of 3-(difluoromethyl)-2,3,4,4-tetrafluorothiolane 1,1-dioxide;thiolane 1,1-dioxide (CID 175415039) is 3-(difluoromethyl)-2,3,4,4-tetrafluorothiolane 1,1-dioxide;thiolane 1,1-dioxide.
What is the SMILES notation for 3-(difluoromethyl)-2,3,4,4-tetrafluorothiolane 1,1-dioxide;thiolane 1,1-dioxide?
The canonical SMILES for 3-(difluoromethyl)-2,3,4,4-tetrafluorothiolane 1,1-dioxide;thiolane 1,1-dioxide is O=S1(=O)CC(F)(F)C(F)(C(F)F)C1F.O=S1(=O)CCCC1.
What is the InChIKey of 3-(difluoromethyl)-2,3,4,4-tetrafluorothiolane 1,1-dioxide;thiolane 1,1-dioxide?
The InChIKey is XMWXCZSUBDBQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6O2S.C4H8O2S/c6-2(7)5(11)3(8)14(12,13)1-4(5,9)10;5-7(6)3-1-2-4-7/h2-3H,1H2;1-4H2.
What are the key properties of 3-(difluoromethyl)-2,3,4,4-tetrafluorothiolane 1,1-dioxide;thiolane 1,1-dioxide?
3-(difluoromethyl)-2,3,4,4-tetrafluorothiolane 1,1-dioxide;thiolane 1,1-dioxide has a molecular weight of 362.31 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2,3,4,4-tetrafluorothiolane 1,1-dioxide;thiolane 1,1-dioxide is sourced from PubChem (CID 175415039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).