bis(trifluoromethylsulfonyl)azanide;tripropylazanium

C11H22F6N2O4S2 — CID 166451231

IUPACbis(trifluoromethylsulfonyl)azanide;tripropylazanium
SMILESCCC[NH+](CCC)CCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H21N.C2F6NO4S2/c1-4-7-10(8-5-2)9-6-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-9H2,1-3H3;/q;-1/p+1
InChIKeyXVRXPHYHLWPFEP-UHFFFAOYSA-O
MW424.43 g/mol
LogP2.16
Rot. Bonds8

About bis(trifluoromethylsulfonyl)azanide;tripropylazanium

bis(trifluoromethylsulfonyl)azanide;tripropylazanium (PubChem CID 166451231) has the molecular formula C11H22F6N2O4S2 and a molecular weight of 424.43 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;tripropylazanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;tripropylazanium
PubChem CID166451231
Molecular FormulaC11H22F6N2O4S2
Molecular Weight424.43 g/mol
Exact Mass424.09
IUPAC Namebis(trifluoromethylsulfonyl)azanide;tripropylazanium
SMILESCCC[NH+](CCC)CCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H21N.C2F6NO4S2/c1-4-7-10(8-5-2)9-6-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-9H2,1-3H3;/q;-1/p+1
InChIKeyXVRXPHYHLWPFEP-UHFFFAOYSA-O
XLogP2.16
TPSA86.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;tripropylazanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;tripropylazanium (CID 166451231) is bis(trifluoromethylsulfonyl)azanide;tripropylazanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;tripropylazanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;tripropylazanium is CCC[NH+](CCC)CCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;tripropylazanium?
The InChIKey is XVRXPHYHLWPFEP-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H21N.C2F6NO4S2/c1-4-7-10(8-5-2)9-6-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-9H2,1-3H3;/q;-1/p+1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;tripropylazanium?
bis(trifluoromethylsulfonyl)azanide;tripropylazanium has a molecular weight of 424.43 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;tripropylazanium is sourced from PubChem (CID 166451231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).