4-(difluoromethyl)-2,3,3-trifluorothiolane 1,1-dioxide

C5H5F5O2S — CID 66729811

IUPAC4-(difluoromethyl)-2,3,3-trifluorothiolane 1,1-dioxide
SMILESO=S1(=O)CC(C(F)F)C(F)(F)C1F
InChIInChI=1S/C5H5F5O2S/c6-3(7)2-1-13(11,12)4(8)5(2,9)10/h2-4H,1H2
InChIKeyLRTAYZWKVWNNOI-UHFFFAOYSA-N
MW224.15 g/mol
LogP1.23
Rot. Bonds1

About 4-(difluoromethyl)-2,3,3-trifluorothiolane 1,1-dioxide

4-(difluoromethyl)-2,3,3-trifluorothiolane 1,1-dioxide (PubChem CID 66729811) has the molecular formula C5H5F5O2S and a molecular weight of 224.15 g/mol. Its IUPAC name is 4-(difluoromethyl)-2,3,3-trifluorothiolane 1,1-dioxide.

Molecular Properties

Compound Name4-(difluoromethyl)-2,3,3-trifluorothiolane 1,1-dioxide
PubChem CID66729811
Molecular FormulaC5H5F5O2S
Molecular Weight224.15 g/mol
Exact Mass223.99
IUPAC Name4-(difluoromethyl)-2,3,3-trifluorothiolane 1,1-dioxide
SMILESO=S1(=O)CC(C(F)F)C(F)(F)C1F
InChIInChI=1S/C5H5F5O2S/c6-3(7)2-1-13(11,12)4(8)5(2,9)10/h2-4H,1H2
InChIKeyLRTAYZWKVWNNOI-UHFFFAOYSA-N
XLogP1.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.15
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2,3,3-trifluorothiolane 1,1-dioxide?
The IUPAC name of 4-(difluoromethyl)-2,3,3-trifluorothiolane 1,1-dioxide (CID 66729811) is 4-(difluoromethyl)-2,3,3-trifluorothiolane 1,1-dioxide.
What is the SMILES notation for 4-(difluoromethyl)-2,3,3-trifluorothiolane 1,1-dioxide?
The canonical SMILES for 4-(difluoromethyl)-2,3,3-trifluorothiolane 1,1-dioxide is O=S1(=O)CC(C(F)F)C(F)(F)C1F.
What is the InChIKey of 4-(difluoromethyl)-2,3,3-trifluorothiolane 1,1-dioxide?
The InChIKey is LRTAYZWKVWNNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F5O2S/c6-3(7)2-1-13(11,12)4(8)5(2,9)10/h2-4H,1H2.
What are the key properties of 4-(difluoromethyl)-2,3,3-trifluorothiolane 1,1-dioxide?
4-(difluoromethyl)-2,3,3-trifluorothiolane 1,1-dioxide has a molecular weight of 224.15 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2,3,3-trifluorothiolane 1,1-dioxide is sourced from PubChem (CID 66729811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).