bis(trifluoromethylsulfonyl)azanide;tert-butyl-decyl-propan-2-ylazanium

C19H38F6N2O4S2 — CID 134716522

IUPACbis(trifluoromethylsulfonyl)azanide;tert-butyl-decyl-propan-2-ylazanium
SMILESCCCCCCCCCC[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/C17H37N.C2F6NO4S2/c1-7-8-9-10-11-12-13-14-15-18(16(2)3)17(4,5)6;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h16H,7-15H2,1-6H3;/q;-1/p+1
InChIKeyGYTDOOXUWASGME-UHFFFAOYSA-O
MW536.65 g/mol
LogP5.28
Rot. Bonds12

About bis(trifluoromethylsulfonyl)azanide;tert-butyl-decyl-propan-2-ylazanium

bis(trifluoromethylsulfonyl)azanide;tert-butyl-decyl-propan-2-ylazanium (PubChem CID 134716522) has the molecular formula C19H38F6N2O4S2 and a molecular weight of 536.65 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;tert-butyl-decyl-propan-2-ylazanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;tert-butyl-decyl-propan-2-ylazanium
PubChem CID134716522
Molecular FormulaC19H38F6N2O4S2
Molecular Weight536.65 g/mol
Exact Mass536.22
IUPAC Namebis(trifluoromethylsulfonyl)azanide;tert-butyl-decyl-propan-2-ylazanium
SMILESCCCCCCCCCC[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/C17H37N.C2F6NO4S2/c1-7-8-9-10-11-12-13-14-15-18(16(2)3)17(4,5)6;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h16H,7-15H2,1-6H3;/q;-1/p+1
InChIKeyGYTDOOXUWASGME-UHFFFAOYSA-O
XLogP5.28
TPSA86.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.65
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(trifluoromethylsulfonyl)azanide;tert-butyl-decyl-propan-2-ylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;tert-butyl-decyl-propan-2-ylazanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;tert-butyl-decyl-propan-2-ylazanium (CID 134716522) is bis(trifluoromethylsulfonyl)azanide;tert-butyl-decyl-propan-2-ylazanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;tert-butyl-decyl-propan-2-ylazanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;tert-butyl-decyl-propan-2-ylazanium is CCCCCCCCCC[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-decyl-propan-2-ylazanium?
The InChIKey is GYTDOOXUWASGME-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H37N.C2F6NO4S2/c1-7-8-9-10-11-12-13-14-15-18(16(2)3)17(4,5)6;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h16H,7-15H2,1-6H3;/q;-1/p+1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;tert-butyl-decyl-propan-2-ylazanium?
bis(trifluoromethylsulfonyl)azanide;tert-butyl-decyl-propan-2-ylazanium has a molecular weight of 536.65 g/mol, XLogP of 5.28, 12 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-decyl-propan-2-ylazanium is sourced from PubChem (CID 134716522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).