2,2,4,5-tetrafluoro-4-methylthiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-methylthiolane 1,1-dioxide

C10H12F8O4S2 — CID 175415040

IUPAC2,2,4,5-tetrafluoro-4-methylthiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-methylthiolane 1,1-dioxide
SMILESCC1(F)CC(F)(F)S(=O)(=O)C1F.CC1(F)CS(=O)(=O)C(F)C1(F)F
InChIInChI=1S/2C5H6F4O2S/c1-4(7)2-12(10,11)3(6)5(4,8)9;1-4(7)2-5(8,9)12(10,11)3(4)6/h2*3H,2H2,1H3
InChIKeyDRXAYELUUZJCPX-UHFFFAOYSA-N
MW412.32 g/mol
LogP2.50
Rot. Bonds

About 2,2,4,5-tetrafluoro-4-methylthiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-methylthiolane 1,1-dioxide

2,2,4,5-tetrafluoro-4-methylthiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-methylthiolane 1,1-dioxide (PubChem CID 175415040) has the molecular formula C10H12F8O4S2 and a molecular weight of 412.32 g/mol. Its IUPAC name is 2,2,4,5-tetrafluoro-4-methylthiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-methylthiolane 1,1-dioxide.

Molecular Properties

Compound Name2,2,4,5-tetrafluoro-4-methylthiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-methylthiolane 1,1-dioxide
PubChem CID175415040
Molecular FormulaC10H12F8O4S2
Molecular Weight412.32 g/mol
Exact Mass412.00
IUPAC Name2,2,4,5-tetrafluoro-4-methylthiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-methylthiolane 1,1-dioxide
SMILESCC1(F)CC(F)(F)S(=O)(=O)C1F.CC1(F)CS(=O)(=O)C(F)C1(F)F
InChIInChI=1S/2C5H6F4O2S/c1-4(7)2-12(10,11)3(6)5(4,8)9;1-4(7)2-5(8,9)12(10,11)3(4)6/h2*3H,2H2,1H3
InChIKeyDRXAYELUUZJCPX-UHFFFAOYSA-N
XLogP2.50
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.32
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,5-tetrafluoro-4-methylthiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-methylthiolane 1,1-dioxide?
The IUPAC name of 2,2,4,5-tetrafluoro-4-methylthiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-methylthiolane 1,1-dioxide (CID 175415040) is 2,2,4,5-tetrafluoro-4-methylthiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-methylthiolane 1,1-dioxide.
What is the SMILES notation for 2,2,4,5-tetrafluoro-4-methylthiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-methylthiolane 1,1-dioxide?
The canonical SMILES for 2,2,4,5-tetrafluoro-4-methylthiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-methylthiolane 1,1-dioxide is CC1(F)CC(F)(F)S(=O)(=O)C1F.CC1(F)CS(=O)(=O)C(F)C1(F)F.
What is the InChIKey of 2,2,4,5-tetrafluoro-4-methylthiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-methylthiolane 1,1-dioxide?
The InChIKey is DRXAYELUUZJCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H6F4O2S/c1-4(7)2-12(10,11)3(6)5(4,8)9;1-4(7)2-5(8,9)12(10,11)3(4)6/h2*3H,2H2,1H3.
What are the key properties of 2,2,4,5-tetrafluoro-4-methylthiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-methylthiolane 1,1-dioxide?
2,2,4,5-tetrafluoro-4-methylthiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-methylthiolane 1,1-dioxide has a molecular weight of 412.32 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,5-tetrafluoro-4-methylthiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-methylthiolane 1,1-dioxide is sourced from PubChem (CID 175415040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).