bis(trifluoromethylsulfonyl)azanide;tert-butyl-propan-2-yl-propylazanium

C12H24F6N2O4S2 — CID 134716423

IUPACbis(trifluoromethylsulfonyl)azanide;tert-butyl-propan-2-yl-propylazanium
SMILESCCC[NH+](C(C)C)C(C)(C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H23N.C2F6NO4S2/c1-7-8-11(9(2)3)10(4,5)6;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9H,7-8H2,1-6H3;/q;-1/p+1
InChIKeyJZHQDNRXONOHSB-UHFFFAOYSA-O
MW438.46 g/mol
LogP2.55
Rot. Bonds5

About bis(trifluoromethylsulfonyl)azanide;tert-butyl-propan-2-yl-propylazanium

bis(trifluoromethylsulfonyl)azanide;tert-butyl-propan-2-yl-propylazanium (PubChem CID 134716423) has the molecular formula C12H24F6N2O4S2 and a molecular weight of 438.46 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;tert-butyl-propan-2-yl-propylazanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;tert-butyl-propan-2-yl-propylazanium
PubChem CID134716423
Molecular FormulaC12H24F6N2O4S2
Molecular Weight438.46 g/mol
Exact Mass438.11
IUPAC Namebis(trifluoromethylsulfonyl)azanide;tert-butyl-propan-2-yl-propylazanium
SMILESCCC[NH+](C(C)C)C(C)(C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H23N.C2F6NO4S2/c1-7-8-11(9(2)3)10(4,5)6;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9H,7-8H2,1-6H3;/q;-1/p+1
InChIKeyJZHQDNRXONOHSB-UHFFFAOYSA-O
XLogP2.55
TPSA86.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;tert-butyl-propan-2-yl-propylazanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;tert-butyl-propan-2-yl-propylazanium (CID 134716423) is bis(trifluoromethylsulfonyl)azanide;tert-butyl-propan-2-yl-propylazanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;tert-butyl-propan-2-yl-propylazanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;tert-butyl-propan-2-yl-propylazanium is CCC[NH+](C(C)C)C(C)(C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;tert-butyl-propan-2-yl-propylazanium?
The InChIKey is JZHQDNRXONOHSB-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H23N.C2F6NO4S2/c1-7-8-11(9(2)3)10(4,5)6;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9H,7-8H2,1-6H3;/q;-1/p+1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;tert-butyl-propan-2-yl-propylazanium?
bis(trifluoromethylsulfonyl)azanide;tert-butyl-propan-2-yl-propylazanium has a molecular weight of 438.46 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;tert-butyl-propan-2-yl-propylazanium is sourced from PubChem (CID 134716423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).