bis(1,3,3,3-tetrafluoropropyl) sulfite

C6H6F8O3S — CID 87626105

IUPACbis(1,3,3,3-tetrafluoropropyl) sulfite
SMILESO=S(OC(F)CC(F)(F)F)OC(F)CC(F)(F)F
InChIInChI=1S/C6H6F8O3S/c7-3(1-5(9,10)11)16-18(15)17-4(8)2-6(12,13)14/h3-4H,1-2H2
InChIKeyQHBFZVFLMYZSLS-UHFFFAOYSA-N
MW310.16 g/mol
LogP3.09
Rot. Bonds6

About bis(1,3,3,3-tetrafluoropropyl) sulfite

bis(1,3,3,3-tetrafluoropropyl) sulfite (PubChem CID 87626105) has the molecular formula C6H6F8O3S and a molecular weight of 310.16 g/mol. Its IUPAC name is bis(1,3,3,3-tetrafluoropropyl) sulfite.

Molecular Properties

Compound Namebis(1,3,3,3-tetrafluoropropyl) sulfite
PubChem CID87626105
Molecular FormulaC6H6F8O3S
Molecular Weight310.16 g/mol
Exact Mass309.99
IUPAC Namebis(1,3,3,3-tetrafluoropropyl) sulfite
SMILESO=S(OC(F)CC(F)(F)F)OC(F)CC(F)(F)F
InChIInChI=1S/C6H6F8O3S/c7-3(1-5(9,10)11)16-18(15)17-4(8)2-6(12,13)14/h3-4H,1-2H2
InChIKeyQHBFZVFLMYZSLS-UHFFFAOYSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1,3-tetrafluoro-3-methoxypropane
CID 141176664
2,4,4,4-tetrafluorobutanoic acid
CID 24794893
1,3,3,3-tetrafluoropropan-1-ol;hydrate
CID 153370161
(1R)-3,3,3-trifluoro-1-[(1R)-3,3,3-trifluoro-1-hydroxypropoxy]propan-1-ol
CID 94865854
bis(dihydroxymethyl) sulfite
CID 174749902
1,1,1,5,5,5-hexafluoropentan-3-yl dihydrogen phosphate
CID 87107506
2-fluoro-2-(2,2,2-trifluoroethoxy)acetic acid
CID 79357398
1,1,1,5,5,5-hexafluoropentan-3-yl carbonate
CID 154064218
2-(difluoromethyl)-4,4,4-trifluorobutan-1-ol
CID 84767515
1,1,1,5,5,5-hexafluoropentan-3-ylphosphonic acid
CID 22270252
bis(1,1,1-trifluoropentan-3-yl) carbonate
CID 87132428
methyl 2-amino-4,4,4-trifluorobutanoate;hydrochloride
CID 44717559

Frequently Asked Questions

What is the IUPAC name of bis(1,3,3,3-tetrafluoropropyl) sulfite?
The IUPAC name of bis(1,3,3,3-tetrafluoropropyl) sulfite (CID 87626105) is bis(1,3,3,3-tetrafluoropropyl) sulfite.
What is the SMILES notation for bis(1,3,3,3-tetrafluoropropyl) sulfite?
The canonical SMILES for bis(1,3,3,3-tetrafluoropropyl) sulfite is O=S(OC(F)CC(F)(F)F)OC(F)CC(F)(F)F.
What is the InChIKey of bis(1,3,3,3-tetrafluoropropyl) sulfite?
The InChIKey is QHBFZVFLMYZSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F8O3S/c7-3(1-5(9,10)11)16-18(15)17-4(8)2-6(12,13)14/h3-4H,1-2H2.
What are the key properties of bis(1,3,3,3-tetrafluoropropyl) sulfite?
bis(1,3,3,3-tetrafluoropropyl) sulfite has a molecular weight of 310.16 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3,3,3-tetrafluoropropyl) sulfite is sourced from PubChem (CID 87626105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).