bis(trifluoromethylsulfonyl)azanide;3,3-dimethylbutane-1,1-diamine

C8H16F6N3O4S2- — CID 159965982

IUPACbis(trifluoromethylsulfonyl)azanide;3,3-dimethylbutane-1,1-diamine
SMILESCC(C)(C)CC(N)N.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H16N2.C2F6NO4S2/c1-6(2,3)4-5(7)8;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5H,4,7-8H2,1-3H3;/q;-1
InChIKeyODXZMNGHWSCSCM-UHFFFAOYSA-N
MW396.36 g/mol
LogP1.73
Rot. Bonds3

About bis(trifluoromethylsulfonyl)azanide;3,3-dimethylbutane-1,1-diamine

bis(trifluoromethylsulfonyl)azanide;3,3-dimethylbutane-1,1-diamine (PubChem CID 159965982) has the molecular formula C8H16F6N3O4S2- and a molecular weight of 396.36 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;3,3-dimethylbutane-1,1-diamine.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;3,3-dimethylbutane-1,1-diamine
PubChem CID159965982
Molecular FormulaC8H16F6N3O4S2-
Molecular Weight396.36 g/mol
Exact Mass396.05
IUPAC Namebis(trifluoromethylsulfonyl)azanide;3,3-dimethylbutane-1,1-diamine
SMILESCC(C)(C)CC(N)N.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H16N2.C2F6NO4S2/c1-6(2,3)4-5(7)8;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5H,4,7-8H2,1-3H3;/q;-1
InChIKeyODXZMNGHWSCSCM-UHFFFAOYSA-N
XLogP1.73
TPSA134.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;3,3-dimethylbutane-1,1-diamine?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;3,3-dimethylbutane-1,1-diamine (CID 159965982) is bis(trifluoromethylsulfonyl)azanide;3,3-dimethylbutane-1,1-diamine.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;3,3-dimethylbutane-1,1-diamine?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;3,3-dimethylbutane-1,1-diamine is CC(C)(C)CC(N)N.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;3,3-dimethylbutane-1,1-diamine?
The InChIKey is ODXZMNGHWSCSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.C2F6NO4S2/c1-6(2,3)4-5(7)8;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5H,4,7-8H2,1-3H3;/q;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;3,3-dimethylbutane-1,1-diamine?
bis(trifluoromethylsulfonyl)azanide;3,3-dimethylbutane-1,1-diamine has a molecular weight of 396.36 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;3,3-dimethylbutane-1,1-diamine is sourced from PubChem (CID 159965982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).