4-(difluoromethyl)-2,2,4,5-tetrafluorothiolane 1,1-dioxide;4-(difluoromethyl)-2,3,3,4-tetrafluorothiolane 1,1-dioxide

C10H8F12O4S2 — CID 174784857

IUPAC4-(difluoromethyl)-2,2,4,5-tetrafluorothiolane 1,1-dioxide;4-(difluoromethyl)-2,3,3,4-tetrafluorothiolane 1,1-dioxide
SMILESO=S1(=O)C(F)C(F)(C(F)F)CC1(F)F.O=S1(=O)CC(F)(C(F)F)C(F)(F)C1F
InChIInChI=1S/2C5H4F6O2S/c6-2(7)4(9)1-14(12,13)3(8)5(4,10)11;6-2(7)4(9)1-5(10,11)14(12,13)3(4)8/h2*2-3H,1H2
InChIKeyOOLWQORSTCCEOO-UHFFFAOYSA-N
MW484.28 g/mol
LogP2.99
Rot. Bonds2

About 4-(difluoromethyl)-2,2,4,5-tetrafluorothiolane 1,1-dioxide;4-(difluoromethyl)-2,3,3,4-tetrafluorothiolane 1,1-dioxide

4-(difluoromethyl)-2,2,4,5-tetrafluorothiolane 1,1-dioxide;4-(difluoromethyl)-2,3,3,4-tetrafluorothiolane 1,1-dioxide (PubChem CID 174784857) has the molecular formula C10H8F12O4S2 and a molecular weight of 484.28 g/mol. Its IUPAC name is 4-(difluoromethyl)-2,2,4,5-tetrafluorothiolane 1,1-dioxide;4-(difluoromethyl)-2,3,3,4-tetrafluorothiolane 1,1-dioxide.

Molecular Properties

Compound Name4-(difluoromethyl)-2,2,4,5-tetrafluorothiolane 1,1-dioxide;4-(difluoromethyl)-2,3,3,4-tetrafluorothiolane 1,1-dioxide
PubChem CID174784857
Molecular FormulaC10H8F12O4S2
Molecular Weight484.28 g/mol
Exact Mass483.97
IUPAC Name4-(difluoromethyl)-2,2,4,5-tetrafluorothiolane 1,1-dioxide;4-(difluoromethyl)-2,3,3,4-tetrafluorothiolane 1,1-dioxide
SMILESO=S1(=O)C(F)C(F)(C(F)F)CC1(F)F.O=S1(=O)CC(F)(C(F)F)C(F)(F)C1F
InChIInChI=1S/2C5H4F6O2S/c6-2(7)4(9)1-14(12,13)3(8)5(4,10)11;6-2(7)4(9)1-5(10,11)14(12,13)3(4)8/h2*2-3H,1H2
InChIKeyOOLWQORSTCCEOO-UHFFFAOYSA-N
XLogP2.99
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.28
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2,2,4,5-tetrafluorothiolane 1,1-dioxide;4-(difluoromethyl)-2,3,3,4-tetrafluorothiolane 1,1-dioxide?
The IUPAC name of 4-(difluoromethyl)-2,2,4,5-tetrafluorothiolane 1,1-dioxide;4-(difluoromethyl)-2,3,3,4-tetrafluorothiolane 1,1-dioxide (CID 174784857) is 4-(difluoromethyl)-2,2,4,5-tetrafluorothiolane 1,1-dioxide;4-(difluoromethyl)-2,3,3,4-tetrafluorothiolane 1,1-dioxide.
What is the SMILES notation for 4-(difluoromethyl)-2,2,4,5-tetrafluorothiolane 1,1-dioxide;4-(difluoromethyl)-2,3,3,4-tetrafluorothiolane 1,1-dioxide?
The canonical SMILES for 4-(difluoromethyl)-2,2,4,5-tetrafluorothiolane 1,1-dioxide;4-(difluoromethyl)-2,3,3,4-tetrafluorothiolane 1,1-dioxide is O=S1(=O)C(F)C(F)(C(F)F)CC1(F)F.O=S1(=O)CC(F)(C(F)F)C(F)(F)C1F.
What is the InChIKey of 4-(difluoromethyl)-2,2,4,5-tetrafluorothiolane 1,1-dioxide;4-(difluoromethyl)-2,3,3,4-tetrafluorothiolane 1,1-dioxide?
The InChIKey is OOLWQORSTCCEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H4F6O2S/c6-2(7)4(9)1-14(12,13)3(8)5(4,10)11;6-2(7)4(9)1-5(10,11)14(12,13)3(4)8/h2*2-3H,1H2.
What are the key properties of 4-(difluoromethyl)-2,2,4,5-tetrafluorothiolane 1,1-dioxide;4-(difluoromethyl)-2,3,3,4-tetrafluorothiolane 1,1-dioxide?
4-(difluoromethyl)-2,2,4,5-tetrafluorothiolane 1,1-dioxide;4-(difluoromethyl)-2,3,3,4-tetrafluorothiolane 1,1-dioxide has a molecular weight of 484.28 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2,2,4,5-tetrafluorothiolane 1,1-dioxide;4-(difluoromethyl)-2,3,3,4-tetrafluorothiolane 1,1-dioxide is sourced from PubChem (CID 174784857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).