sulfuryl dibromide;1,1,1-trifluoropropane

C3H5Br2F3O2S — CID 175054852

IUPACsulfuryl dibromide;1,1,1-trifluoropropane
SMILESCCC(F)(F)F.O=S(=O)(Br)Br
InChIInChI=1S/C3H5F3.Br2O2S/c1-2-3(4,5)6;1-5(2,3)4/h2H2,1H3;
InChIKeyCRORUJPWHUJLNP-UHFFFAOYSA-N
MW321.94 g/mol
LogP2.98
Rot. Bonds

About sulfuryl dibromide;1,1,1-trifluoropropane

sulfuryl dibromide;1,1,1-trifluoropropane (PubChem CID 175054852) has the molecular formula C3H5Br2F3O2S and a molecular weight of 321.94 g/mol. Its IUPAC name is sulfuryl dibromide;1,1,1-trifluoropropane.

Molecular Properties

Compound Namesulfuryl dibromide;1,1,1-trifluoropropane
PubChem CID175054852
Molecular FormulaC3H5Br2F3O2S
Molecular Weight321.94 g/mol
Exact Mass319.83
IUPAC Namesulfuryl dibromide;1,1,1-trifluoropropane
SMILESCCC(F)(F)F.O=S(=O)(Br)Br
InChIInChI=1S/C3H5F3.Br2O2S/c1-2-3(4,5)6;1-5(2,3)4/h2H2,1H3;
InChIKeyCRORUJPWHUJLNP-UHFFFAOYSA-N
XLogP2.98
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.94
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(trifluoromethylsulfanylsulfonyl)ethane
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propanedinitrile;1,1,1-trifluoropropane
CID 160734333
bromomethanesulfonyl bromide
CID 10977482
[ethyl(2,2,2-trifluoroethyl)amino] hydrogen sulfate
CID 131724719
1-bromo-1,1-difluoro-2-methylbutan-2-ol
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Frequently Asked Questions

What is the IUPAC name of sulfuryl dibromide;1,1,1-trifluoropropane?
The IUPAC name of sulfuryl dibromide;1,1,1-trifluoropropane (CID 175054852) is sulfuryl dibromide;1,1,1-trifluoropropane.
What is the SMILES notation for sulfuryl dibromide;1,1,1-trifluoropropane?
The canonical SMILES for sulfuryl dibromide;1,1,1-trifluoropropane is CCC(F)(F)F.O=S(=O)(Br)Br.
What is the InChIKey of sulfuryl dibromide;1,1,1-trifluoropropane?
The InChIKey is CRORUJPWHUJLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3.Br2O2S/c1-2-3(4,5)6;1-5(2,3)4/h2H2,1H3;.
What are the key properties of sulfuryl dibromide;1,1,1-trifluoropropane?
sulfuryl dibromide;1,1,1-trifluoropropane has a molecular weight of 321.94 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuryl dibromide;1,1,1-trifluoropropane is sourced from PubChem (CID 175054852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).