1,1,1,3,3,3-hexafluoro-2-propan-2-ylsulfanylpropane

C6H8F6S — CID 59881989

IUPAC1,1,1,3,3,3-hexafluoro-2-propan-2-ylsulfanylpropane
SMILESCC(C)SC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6S/c1-3(2)13-4(5(7,8)9)6(10,11)12/h3-4H,1-2H3
InChIKeyBVSIZRHTSWYVQV-UHFFFAOYSA-N
MW226.19 g/mol
LogP3.62
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-propan-2-ylsulfanylpropane

1,1,1,3,3,3-hexafluoro-2-propan-2-ylsulfanylpropane (PubChem CID 59881989) has the molecular formula C6H8F6S and a molecular weight of 226.19 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-propan-2-ylsulfanylpropane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-propan-2-ylsulfanylpropane
PubChem CID59881989
Molecular FormulaC6H8F6S
Molecular Weight226.19 g/mol
Exact Mass226.03
IUPAC Name1,1,1,3,3,3-hexafluoro-2-propan-2-ylsulfanylpropane
SMILESCC(C)SC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6S/c1-3(2)13-4(5(7,8)9)6(10,11)12/h3-4H,1-2H3
InChIKeyBVSIZRHTSWYVQV-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 53.62
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-propan-2-ylsulfanylpropane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-propan-2-ylsulfanylpropane (CID 59881989) is 1,1,1,3,3,3-hexafluoro-2-propan-2-ylsulfanylpropane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-propan-2-ylsulfanylpropane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-propan-2-ylsulfanylpropane is CC(C)SC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-propan-2-ylsulfanylpropane?
The InChIKey is BVSIZRHTSWYVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6S/c1-3(2)13-4(5(7,8)9)6(10,11)12/h3-4H,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-propan-2-ylsulfanylpropane?
1,1,1,3,3,3-hexafluoro-2-propan-2-ylsulfanylpropane has a molecular weight of 226.19 g/mol, XLogP of 3.62, 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-propan-2-ylsulfanylpropane is sourced from PubChem (CID 59881989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).