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

C5H6F6NO4S2Sm- — CID 162598559

IUPACsamarium;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.[Sm]
InChIInChI=1S/C5H6F6NO4S2.Sm/c1-3(2)12(17(13,14)4(6,7)8)18(15,16)5(9,10)11;/h1-2H3;/q-1;
InChIKeyBBOQZWIFSJSQCU-UHFFFAOYSA-N
MW472.59 g/mol
LogP1.56
Rot. Bonds3

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

samarium;1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 162598559) has the molecular formula C5H6F6NO4S2Sm- and a molecular weight of 472.59 g/mol. Its IUPAC name is samarium;1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound Namesamarium;1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID162598559
Molecular FormulaC5H6F6NO4S2Sm-
Molecular Weight472.59 g/mol
Exact Mass473.88
IUPAC Namesamarium;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.[Sm]
InChIInChI=1S/C5H6F6NO4S2.Sm/c1-3(2)12(17(13,14)4(6,7)8)18(15,16)5(9,10)11;/h1-2H3;/q-1;
InChIKeyBBOQZWIFSJSQCU-UHFFFAOYSA-N
XLogP1.56
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 51.56
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 samarium;1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of samarium;1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 162598559) is samarium;1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for samarium;1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for samarium;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.[Sm].
What is the InChIKey of samarium;1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is BBOQZWIFSJSQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6NO4S2.Sm/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 samarium;1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfonyl)methanesulfonamide?
samarium;1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 472.59 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for samarium;1,1,1-trifluoro-N-propan-2-yl-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 162598559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).