1,1,1,3,3,3-hexafluoro-2-(methylsulfanylmethyl)-2-(trifluoromethyl)propane

C6H5F9S — CID 13152330

IUPAC1,1,1,3,3,3-hexafluoro-2-(methylsulfanylmethyl)-2-(trifluoromethyl)propane
SMILESCSCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F9S/c1-16-2-3(4(7,8)9,5(10,11)12)6(13,14)15/h2H2,1H3
InChIKeyWVOAHHSUKGIAKL-UHFFFAOYSA-N
MW280.15 g/mol
LogP4.02
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-(methylsulfanylmethyl)-2-(trifluoromethyl)propane

1,1,1,3,3,3-hexafluoro-2-(methylsulfanylmethyl)-2-(trifluoromethyl)propane (PubChem CID 13152330) has the molecular formula C6H5F9S and a molecular weight of 280.15 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(methylsulfanylmethyl)-2-(trifluoromethyl)propane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(methylsulfanylmethyl)-2-(trifluoromethyl)propane
PubChem CID13152330
Molecular FormulaC6H5F9S
Molecular Weight280.15 g/mol
Exact Mass280.00
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(methylsulfanylmethyl)-2-(trifluoromethyl)propane
SMILESCSCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F9S/c1-16-2-3(4(7,8)9,5(10,11)12)6(13,14)15/h2H2,1H3
InChIKeyWVOAHHSUKGIAKL-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(methylsulfanylmethyl)-2-(trifluoromethyl)propane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(methylsulfanylmethyl)-2-(trifluoromethyl)propane (CID 13152330) is 1,1,1,3,3,3-hexafluoro-2-(methylsulfanylmethyl)-2-(trifluoromethyl)propane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(methylsulfanylmethyl)-2-(trifluoromethyl)propane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(methylsulfanylmethyl)-2-(trifluoromethyl)propane is CSCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(methylsulfanylmethyl)-2-(trifluoromethyl)propane?
The InChIKey is WVOAHHSUKGIAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F9S/c1-16-2-3(4(7,8)9,5(10,11)12)6(13,14)15/h2H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(methylsulfanylmethyl)-2-(trifluoromethyl)propane?
1,1,1,3,3,3-hexafluoro-2-(methylsulfanylmethyl)-2-(trifluoromethyl)propane has a molecular weight of 280.15 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(methylsulfanylmethyl)-2-(trifluoromethyl)propane is sourced from PubChem (CID 13152330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).