dioxouranium;1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfonyl)methanesulfonamide

C5H6F6NO6S2U- — CID 162598558

IUPACdioxouranium;1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESC[C-](C)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.O=[U]=O
InChIInChI=1S/C5H6F6NO4S2.2O.U/c1-3(2)12(17(13,14)4(6,7)8)18(15,16)5(9,10)11;;;/h1-2H3;;;/q-1;;;
InChIKeyFPLKKEIMIQJDMD-UHFFFAOYSA-N
MW592.25 g/mol
LogP1.32
Rot. Bonds3

About dioxouranium;1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfonyl)methanesulfonamide

dioxouranium;1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 162598558) has the molecular formula C5H6F6NO6S2U- and a molecular weight of 592.25 g/mol. Its IUPAC name is dioxouranium;1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound Namedioxouranium;1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID162598558
Molecular FormulaC5H6F6NO6S2U-
Molecular Weight592.25 g/mol
Exact Mass592.01
IUPAC Namedioxouranium;1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESC[C-](C)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.O=[U]=O
InChIInChI=1S/C5H6F6NO4S2.2O.U/c1-3(2)12(17(13,14)4(6,7)8)18(15,16)5(9,10)11;;;/h1-2H3;;;/q-1;;;
InChIKeyFPLKKEIMIQJDMD-UHFFFAOYSA-N
XLogP1.32
TPSA105.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.25
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 dioxouranium;1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of dioxouranium;1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 162598558) is dioxouranium;1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for dioxouranium;1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for dioxouranium;1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfonyl)methanesulfonamide is C[C-](C)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.O=[U]=O.
What is the InChIKey of dioxouranium;1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is FPLKKEIMIQJDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6NO4S2.2O.U/c1-3(2)12(17(13,14)4(6,7)8)18(15,16)5(9,10)11;;;/h1-2H3;;;/q-1;;;.
What are the key properties of dioxouranium;1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfonyl)methanesulfonamide?
dioxouranium;1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 592.25 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dioxouranium;1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 162598558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).