bis(trifluoromethylsulfonyl)azanide;heptyl(propyl)azanium

C12H24F6N2O4S2 — CID 141281437

IUPACbis(trifluoromethylsulfonyl)azanide;heptyl(propyl)azanium
SMILESCCCCCCC[NH2+]CCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H23N.C2F6NO4S2/c1-3-5-6-7-8-10-11-9-4-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h11H,3-10H2,1-2H3;/q;-1/p+1
InChIKeyAYDNFUWPGVTDFT-UHFFFAOYSA-O
MW438.46 g/mol
LogP2.99
Rot. Bonds10

About bis(trifluoromethylsulfonyl)azanide;heptyl(propyl)azanium

bis(trifluoromethylsulfonyl)azanide;heptyl(propyl)azanium (PubChem CID 141281437) has the molecular formula C12H24F6N2O4S2 and a molecular weight of 438.46 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;heptyl(propyl)azanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;heptyl(propyl)azanium
PubChem CID141281437
Molecular FormulaC12H24F6N2O4S2
Molecular Weight438.46 g/mol
Exact Mass438.11
IUPAC Namebis(trifluoromethylsulfonyl)azanide;heptyl(propyl)azanium
SMILESCCCCCCC[NH2+]CCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H23N.C2F6NO4S2/c1-3-5-6-7-8-10-11-9-4-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h11H,3-10H2,1-2H3;/q;-1/p+1
InChIKeyAYDNFUWPGVTDFT-UHFFFAOYSA-O
XLogP2.99
TPSA98.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;heptyl(propyl)azanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;heptyl(propyl)azanium (CID 141281437) is bis(trifluoromethylsulfonyl)azanide;heptyl(propyl)azanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;heptyl(propyl)azanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;heptyl(propyl)azanium is CCCCCCC[NH2+]CCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;heptyl(propyl)azanium?
The InChIKey is AYDNFUWPGVTDFT-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H23N.C2F6NO4S2/c1-3-5-6-7-8-10-11-9-4-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h11H,3-10H2,1-2H3;/q;-1/p+1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;heptyl(propyl)azanium?
bis(trifluoromethylsulfonyl)azanide;heptyl(propyl)azanium has a molecular weight of 438.46 g/mol, XLogP of 2.99, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;heptyl(propyl)azanium is sourced from PubChem (CID 141281437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).