trifluoro(trifluoromethoxymethylsulfinylmethoxy)methane

C4H4F6O3S — CID 150813617

IUPACtrifluoro(trifluoromethoxymethylsulfinylmethoxy)methane
SMILESO=S(COC(F)(F)F)COC(F)(F)F
InChIInChI=1S/C4H4F6O3S/c5-3(6,7)12-1-14(11)2-13-4(8,9)10/h1-2H2
InChIKeyKIKGPPUTHGNDMN-UHFFFAOYSA-N
MW246.13 g/mol
LogP1.72
Rot. Bonds4

About trifluoro(trifluoromethoxymethylsulfinylmethoxy)methane

trifluoro(trifluoromethoxymethylsulfinylmethoxy)methane (PubChem CID 150813617) has the molecular formula C4H4F6O3S and a molecular weight of 246.13 g/mol. Its IUPAC name is trifluoro(trifluoromethoxymethylsulfinylmethoxy)methane.

Molecular Properties

Compound Nametrifluoro(trifluoromethoxymethylsulfinylmethoxy)methane
PubChem CID150813617
Molecular FormulaC4H4F6O3S
Molecular Weight246.13 g/mol
Exact Mass245.98
IUPAC Nametrifluoro(trifluoromethoxymethylsulfinylmethoxy)methane
SMILESO=S(COC(F)(F)F)COC(F)(F)F
InChIInChI=1S/C4H4F6O3S/c5-3(6,7)12-1-14(11)2-13-4(8,9)10/h1-2H2
InChIKeyKIKGPPUTHGNDMN-UHFFFAOYSA-N
XLogP1.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.13
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[2-(trifluoromethoxy)ethylsulfinyl]propan-1-amine
CID 81202273
trifluoromethoxymethanethiol
CID 87205661
1-fluoro-2-(trifluoromethoxy)ethane
CID 11137203
1-bromo-2-(trifluoromethoxy)ethane
CID 12846025
CID 172717056
CID 172717056
2-[2-(trifluoromethoxy)ethylsulfinyl]butanoic acid
CID 105355643
samarium(3+);tris(trifluoromethyl sulfite)
CID 58114423
3-(trifluoromethoxy)propane-1-sulfonic acid
CID 152623233
sodium;hydride;trifluoromethyl methanesulfonate
CID 174543711
1,1,2-trifluoro-3-(trifluoromethoxy)propane
CID 19063472
[bis(trifluoromethoxysulfinyl)amino]-trifluoromethane
CID 58152788
2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethylsulfinyl]propan-2-amine
CID 81189354

Frequently Asked Questions

What is the IUPAC name of trifluoro(trifluoromethoxymethylsulfinylmethoxy)methane?
The IUPAC name of trifluoro(trifluoromethoxymethylsulfinylmethoxy)methane (CID 150813617) is trifluoro(trifluoromethoxymethylsulfinylmethoxy)methane.
What is the SMILES notation for trifluoro(trifluoromethoxymethylsulfinylmethoxy)methane?
The canonical SMILES for trifluoro(trifluoromethoxymethylsulfinylmethoxy)methane is O=S(COC(F)(F)F)COC(F)(F)F.
What is the InChIKey of trifluoro(trifluoromethoxymethylsulfinylmethoxy)methane?
The InChIKey is KIKGPPUTHGNDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6O3S/c5-3(6,7)12-1-14(11)2-13-4(8,9)10/h1-2H2.
What are the key properties of trifluoro(trifluoromethoxymethylsulfinylmethoxy)methane?
trifluoro(trifluoromethoxymethylsulfinylmethoxy)methane has a molecular weight of 246.13 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(trifluoromethoxymethylsulfinylmethoxy)methane is sourced from PubChem (CID 150813617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).