bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;piperidin-1-ium

C9H12F10N2O4S2 — CID 141281448

IUPACbis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;piperidin-1-ium
SMILESC1CC[NH2+]CC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H11N.C4F10NO4S2/c1-2-4-6-5-3-1;5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10/h6H,1-5H2;/q;-1/p+1
InChIKeyYBELJTBFVVYNCR-UHFFFAOYSA-O
MW466.32 g/mol
LogP2.06
Rot. Bonds4

About bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;piperidin-1-ium

bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;piperidin-1-ium (PubChem CID 141281448) has the molecular formula C9H12F10N2O4S2 and a molecular weight of 466.32 g/mol. Its IUPAC name is bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;piperidin-1-ium.

Molecular Properties

Compound Namebis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;piperidin-1-ium
PubChem CID141281448
Molecular FormulaC9H12F10N2O4S2
Molecular Weight466.32 g/mol
Exact Mass466.01
IUPAC Namebis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;piperidin-1-ium
SMILESC1CC[NH2+]CC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H11N.C4F10NO4S2/c1-2-4-6-5-3-1;5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10/h6H,1-5H2;/q;-1/p+1
InChIKeyYBELJTBFVVYNCR-UHFFFAOYSA-O
XLogP2.06
TPSA98.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;piperidin-1-ium?
The IUPAC name of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;piperidin-1-ium (CID 141281448) is bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;piperidin-1-ium.
What is the SMILES notation for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;piperidin-1-ium?
The canonical SMILES for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;piperidin-1-ium is C1CC[NH2+]CC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;piperidin-1-ium?
The InChIKey is YBELJTBFVVYNCR-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11N.C4F10NO4S2/c1-2-4-6-5-3-1;5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10/h6H,1-5H2;/q;-1/p+1.
What are the key properties of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;piperidin-1-ium?
bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;piperidin-1-ium has a molecular weight of 466.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;piperidin-1-ium is sourced from PubChem (CID 141281448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).