bis(trifluoromethylsulfonyl)azanide;1,1-dipropylpyrrolidin-1-ium

C12H22F6N2O4S2 — CID 140880035

IUPACbis(trifluoromethylsulfonyl)azanide;1,1-dipropylpyrrolidin-1-ium
SMILESCCC[N+]1(CCC)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H22N.C2F6NO4S2/c1-3-7-11(8-4-2)9-5-6-10-11;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-10H2,1-2H3;/q+1;-1
InChIKeyGKPFUOJNNWOEPD-UHFFFAOYSA-N
MW436.44 g/mol
LogP3.48
Rot. Bonds6

About bis(trifluoromethylsulfonyl)azanide;1,1-dipropylpyrrolidin-1-ium

bis(trifluoromethylsulfonyl)azanide;1,1-dipropylpyrrolidin-1-ium (PubChem CID 140880035) has the molecular formula C12H22F6N2O4S2 and a molecular weight of 436.44 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;1,1-dipropylpyrrolidin-1-ium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;1,1-dipropylpyrrolidin-1-ium
PubChem CID140880035
Molecular FormulaC12H22F6N2O4S2
Molecular Weight436.44 g/mol
Exact Mass436.09
IUPAC Namebis(trifluoromethylsulfonyl)azanide;1,1-dipropylpyrrolidin-1-ium
SMILESCCC[N+]1(CCC)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H22N.C2F6NO4S2/c1-3-7-11(8-4-2)9-5-6-10-11;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-10H2,1-2H3;/q+1;-1
InChIKeyGKPFUOJNNWOEPD-UHFFFAOYSA-N
XLogP3.48
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

CID 175985522
CID 175985522
bis(trifluoromethylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium
CID 141312811
5-(1-butylpyrrolidin-1-ium-1-yl)pentyl-trimethylazanium;bis(methylsulfonyl(trifluoromethylsulfonyl)azanide)
CID 159740168
bis(trifluoromethylsulfonyl)azanide;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]pyrrolidin-1-ium-1-yl]ethyl 2-methylprop-2-enoate
CID 162768222
1-octyl-1-propylpyrrolidin-1-ium;trifluoromethanesulfonate
CID 171615409
1,2-dimethyl-1-propylpiperidin-1-ium;methylsulfonyl(trifluoromethylsulfonyl)azanide
CID 157458632
bis(trifluoromethylsulfonyl)azanide;1-(2-ethoxyethyl)-1-methylpyrrolidin-1-ium
CID 54613092
bis(trifluoromethylsulfonyl)azanide;triethylazanium
CID 11014427
1-butyl-1-pentylpiperidin-1-ium;trifluoromethanesulfonate
CID 171615902
bis(trifluoromethylsulfonyl)azanide;tris(1-ethyl-1-methylpiperidin-1-ium);hydroxy-dioxido-sulfanylidene-λ5-phosphane
CID 175701813
bis(trifluoromethylsulfonyl)azanide;tetrapropylazanium
CID 141376230
1,1-dipropylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
CID 87861070

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;1,1-dipropylpyrrolidin-1-ium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;1,1-dipropylpyrrolidin-1-ium (CID 140880035) is bis(trifluoromethylsulfonyl)azanide;1,1-dipropylpyrrolidin-1-ium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;1,1-dipropylpyrrolidin-1-ium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;1,1-dipropylpyrrolidin-1-ium is CCC[N+]1(CCC)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;1,1-dipropylpyrrolidin-1-ium?
The InChIKey is GKPFUOJNNWOEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N.C2F6NO4S2/c1-3-7-11(8-4-2)9-5-6-10-11;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-10H2,1-2H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;1,1-dipropylpyrrolidin-1-ium?
bis(trifluoromethylsulfonyl)azanide;1,1-dipropylpyrrolidin-1-ium has a molecular weight of 436.44 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;1,1-dipropylpyrrolidin-1-ium is sourced from PubChem (CID 140880035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).