osmium(1+);2-(1,1,3,3-tetrafluoroprop-1-en-2-yl)propane-1,3-disulfonyl fluoride;trifluoromethane

C7H6F9O4OsS2 — CID 161264455

IUPACosmium(1+);2-(1,1,3,3-tetrafluoroprop-1-en-2-yl)propane-1,3-disulfonyl fluoride;trifluoromethane
SMILESF[C-](F)F.O=S(=O)(F)CC(CS(=O)(=O)F)C(=C(F)F)C(F)F.[Os+]
InChIInChI=1S/C6H6F6O4S2.CF3.Os/c7-5(8)4(6(9)10)3(1-17(11,13)14)2-18(12,15)16;2-1(3)4;/h3,5H,1-2H2;;/q;-1;+1
InChIKeyVCZHQDWTAPTZTL-UHFFFAOYSA-N
MW579.47 g/mol
LogP2.96
Rot. Bonds6

About osmium(1+);2-(1,1,3,3-tetrafluoroprop-1-en-2-yl)propane-1,3-disulfonyl fluoride;trifluoromethane

osmium(1+);2-(1,1,3,3-tetrafluoroprop-1-en-2-yl)propane-1,3-disulfonyl fluoride;trifluoromethane (PubChem CID 161264455) has the molecular formula C7H6F9O4OsS2 and a molecular weight of 579.47 g/mol. Its IUPAC name is osmium(1+);2-(1,1,3,3-tetrafluoroprop-1-en-2-yl)propane-1,3-disulfonyl fluoride;trifluoromethane.

Molecular Properties

Compound Nameosmium(1+);2-(1,1,3,3-tetrafluoroprop-1-en-2-yl)propane-1,3-disulfonyl fluoride;trifluoromethane
PubChem CID161264455
Molecular FormulaC7H6F9O4OsS2
Molecular Weight579.47 g/mol
Exact Mass580.92
IUPAC Nameosmium(1+);2-(1,1,3,3-tetrafluoroprop-1-en-2-yl)propane-1,3-disulfonyl fluoride;trifluoromethane
SMILESF[C-](F)F.O=S(=O)(F)CC(CS(=O)(=O)F)C(=C(F)F)C(F)F.[Os+]
InChIInChI=1S/C6H6F6O4S2.CF3.Os/c7-5(8)4(6(9)10)3(1-17(11,13)14)2-18(12,15)16;2-1(3)4;/h3,5H,1-2H2;;/q;-1;+1
InChIKeyVCZHQDWTAPTZTL-UHFFFAOYSA-N
XLogP2.96
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.47
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of osmium(1+);2-(1,1,3,3-tetrafluoroprop-1-en-2-yl)propane-1,3-disulfonyl fluoride;trifluoromethane?
The IUPAC name of osmium(1+);2-(1,1,3,3-tetrafluoroprop-1-en-2-yl)propane-1,3-disulfonyl fluoride;trifluoromethane (CID 161264455) is osmium(1+);2-(1,1,3,3-tetrafluoroprop-1-en-2-yl)propane-1,3-disulfonyl fluoride;trifluoromethane.
What is the SMILES notation for osmium(1+);2-(1,1,3,3-tetrafluoroprop-1-en-2-yl)propane-1,3-disulfonyl fluoride;trifluoromethane?
The canonical SMILES for osmium(1+);2-(1,1,3,3-tetrafluoroprop-1-en-2-yl)propane-1,3-disulfonyl fluoride;trifluoromethane is F[C-](F)F.O=S(=O)(F)CC(CS(=O)(=O)F)C(=C(F)F)C(F)F.[Os+].
What is the InChIKey of osmium(1+);2-(1,1,3,3-tetrafluoroprop-1-en-2-yl)propane-1,3-disulfonyl fluoride;trifluoromethane?
The InChIKey is VCZHQDWTAPTZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6O4S2.CF3.Os/c7-5(8)4(6(9)10)3(1-17(11,13)14)2-18(12,15)16;2-1(3)4;/h3,5H,1-2H2;;/q;-1;+1.
What are the key properties of osmium(1+);2-(1,1,3,3-tetrafluoroprop-1-en-2-yl)propane-1,3-disulfonyl fluoride;trifluoromethane?
osmium(1+);2-(1,1,3,3-tetrafluoroprop-1-en-2-yl)propane-1,3-disulfonyl fluoride;trifluoromethane has a molecular weight of 579.47 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for osmium(1+);2-(1,1,3,3-tetrafluoroprop-1-en-2-yl)propane-1,3-disulfonyl fluoride;trifluoromethane is sourced from PubChem (CID 161264455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).