1,1,2-trifluoro-2-(trifluoromethoxy)-1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanylethane

C6H2F12O2S — CID 151203213

IUPAC1,1,2-trifluoro-2-(trifluoromethoxy)-1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanylethane
SMILESFC(OC(F)(F)F)C(F)(F)SC(F)(F)C(F)OC(F)(F)F
InChIInChI=1S/C6H2F12O2S/c7-1(19-5(13,14)15)3(9,10)21-4(11,12)2(8)20-6(16,17)18/h1-2H
InChIKeyNISTXMVXKJQECV-UHFFFAOYSA-N
MW366.12 g/mol
LogP4.57
Rot. Bonds6

About 1,1,2-trifluoro-2-(trifluoromethoxy)-1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanylethane

1,1,2-trifluoro-2-(trifluoromethoxy)-1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanylethane (PubChem CID 151203213) has the molecular formula C6H2F12O2S and a molecular weight of 366.12 g/mol. Its IUPAC name is 1,1,2-trifluoro-2-(trifluoromethoxy)-1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanylethane.

Molecular Properties

Compound Name1,1,2-trifluoro-2-(trifluoromethoxy)-1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanylethane
PubChem CID151203213
Molecular FormulaC6H2F12O2S
Molecular Weight366.12 g/mol
Exact Mass365.96
IUPAC Name1,1,2-trifluoro-2-(trifluoromethoxy)-1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanylethane
SMILESFC(OC(F)(F)F)C(F)(F)SC(F)(F)C(F)OC(F)(F)F
InChIInChI=1S/C6H2F12O2S/c7-1(19-5(13,14)15)3(9,10)21-4(11,12)2(8)20-6(16,17)18/h1-2H
InChIKeyNISTXMVXKJQECV-UHFFFAOYSA-N
XLogP4.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.12
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-2-(trifluoromethoxy)-1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanylethane?
The IUPAC name of 1,1,2-trifluoro-2-(trifluoromethoxy)-1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanylethane (CID 151203213) is 1,1,2-trifluoro-2-(trifluoromethoxy)-1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanylethane.
What is the SMILES notation for 1,1,2-trifluoro-2-(trifluoromethoxy)-1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanylethane?
The canonical SMILES for 1,1,2-trifluoro-2-(trifluoromethoxy)-1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanylethane is FC(OC(F)(F)F)C(F)(F)SC(F)(F)C(F)OC(F)(F)F.
What is the InChIKey of 1,1,2-trifluoro-2-(trifluoromethoxy)-1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanylethane?
The InChIKey is NISTXMVXKJQECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F12O2S/c7-1(19-5(13,14)15)3(9,10)21-4(11,12)2(8)20-6(16,17)18/h1-2H.
What are the key properties of 1,1,2-trifluoro-2-(trifluoromethoxy)-1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanylethane?
1,1,2-trifluoro-2-(trifluoromethoxy)-1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanylethane has a molecular weight of 366.12 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-2-(trifluoromethoxy)-1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanylethane is sourced from PubChem (CID 151203213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).