bis(1,1,1,3,3,3-hexafluoropropan-2-yl) sulfite

C6H2F12O3S — CID 13382257

IUPACbis(1,1,1,3,3,3-hexafluoropropan-2-yl) sulfite
SMILESO=S(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H2F12O3S/c7-3(8,9)1(4(10,11)12)20-22(19)21-2(5(13,14)15)6(16,17)18/h1-2H
InChIKeyJKZNEZDSFGHHNO-UHFFFAOYSA-N
MW382.12 g/mol
LogP3.58
Rot. Bonds4

About bis(1,1,1,3,3,3-hexafluoropropan-2-yl) sulfite

bis(1,1,1,3,3,3-hexafluoropropan-2-yl) sulfite (PubChem CID 13382257) has the molecular formula C6H2F12O3S and a molecular weight of 382.12 g/mol. Its IUPAC name is bis(1,1,1,3,3,3-hexafluoropropan-2-yl) sulfite.

Molecular Properties

Compound Namebis(1,1,1,3,3,3-hexafluoropropan-2-yl) sulfite
PubChem CID13382257
Molecular FormulaC6H2F12O3S
Molecular Weight382.12 g/mol
Exact Mass381.95
IUPAC Namebis(1,1,1,3,3,3-hexafluoropropan-2-yl) sulfite
SMILESO=S(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H2F12O3S/c7-3(8,9)1(4(10,11)12)20-22(19)21-2(5(13,14)15)6(16,17)18/h1-2H
InChIKeyJKZNEZDSFGHHNO-UHFFFAOYSA-N
XLogP3.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.12
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(1,1,1,3,3,3-hexafluoropropan-2-yl) sulfite?
The IUPAC name of bis(1,1,1,3,3,3-hexafluoropropan-2-yl) sulfite (CID 13382257) is bis(1,1,1,3,3,3-hexafluoropropan-2-yl) sulfite.
What is the SMILES notation for bis(1,1,1,3,3,3-hexafluoropropan-2-yl) sulfite?
The canonical SMILES for bis(1,1,1,3,3,3-hexafluoropropan-2-yl) sulfite is O=S(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(1,1,1,3,3,3-hexafluoropropan-2-yl) sulfite?
The InChIKey is JKZNEZDSFGHHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F12O3S/c7-3(8,9)1(4(10,11)12)20-22(19)21-2(5(13,14)15)6(16,17)18/h1-2H.
What are the key properties of bis(1,1,1,3,3,3-hexafluoropropan-2-yl) sulfite?
bis(1,1,1,3,3,3-hexafluoropropan-2-yl) sulfite has a molecular weight of 382.12 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,1,3,3,3-hexafluoropropan-2-yl) sulfite is sourced from PubChem (CID 13382257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).