bis(trifluoromethylsulfonyl)azanide;1-methylpyrrolidin-1-ium

C7H12F6N2O4S2 — CID 87600687

IUPACbis(trifluoromethylsulfonyl)azanide;1-methylpyrrolidin-1-ium
SMILESC[NH+]1CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H11N.C2F6NO4S2/c1-6-4-2-3-5-6;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-5H2,1H3;/q;-1/p+1
InChIKeyWOZVTPIKRHZLBN-UHFFFAOYSA-O
MW366.31 g/mol
LogP0.35
Rot. Bonds2

About bis(trifluoromethylsulfonyl)azanide;1-methylpyrrolidin-1-ium

bis(trifluoromethylsulfonyl)azanide;1-methylpyrrolidin-1-ium (PubChem CID 87600687) has the molecular formula C7H12F6N2O4S2 and a molecular weight of 366.31 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;1-methylpyrrolidin-1-ium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;1-methylpyrrolidin-1-ium
PubChem CID87600687
Molecular FormulaC7H12F6N2O4S2
Molecular Weight366.31 g/mol
Exact Mass366.01
IUPAC Namebis(trifluoromethylsulfonyl)azanide;1-methylpyrrolidin-1-ium
SMILESC[NH+]1CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H11N.C2F6NO4S2/c1-6-4-2-3-5-6;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-5H2,1H3;/q;-1/p+1
InChIKeyWOZVTPIKRHZLBN-UHFFFAOYSA-O
XLogP0.35
TPSA86.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide
CID 11048104
1-Methyl-1-propylpyrrolidinium Bis(trifluoromethanesulfonyl)imide
CID 25171607
1-Ethyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide
CID 53316417
Pyrrolidine trifluoromethanesulfonamide
CID 66808720
Trifluoromethanesulfonic acid--(pyrrolidin-1-yl)acetonitrile (1/1)
CID 71306280
Methylpyrrolidinium trifluoromethanesulfonate
CID 87178006
Pyrrolidinium bis(trifluoromethanesulfonyl)imide
CID 129707856
1-Butyl-3-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide
CID 129751399
3-Methyl-1-propylpyrrolidinium bis[(trifluoromethyl)sulfonyl]imide
CID 129821381
N-ethyl-N-propylpyrrolidinium bis(trifluoromethane sulfonyl)imide
CID 129855162
N,N-diethyl-N-methylammonium bis(trifluoromethanesulfonyl)imide
CID 129856499
N-butylpyrrolidinium bis(trifluoromethanesulfonyl)imide
CID 129858811

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;1-methylpyrrolidin-1-ium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;1-methylpyrrolidin-1-ium (CID 87600687) is bis(trifluoromethylsulfonyl)azanide;1-methylpyrrolidin-1-ium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;1-methylpyrrolidin-1-ium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;1-methylpyrrolidin-1-ium is C[NH+]1CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;1-methylpyrrolidin-1-ium?
The InChIKey is WOZVTPIKRHZLBN-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11N.C2F6NO4S2/c1-6-4-2-3-5-6;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-5H2,1H3;/q;-1/p+1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;1-methylpyrrolidin-1-ium?
bis(trifluoromethylsulfonyl)azanide;1-methylpyrrolidin-1-ium has a molecular weight of 366.31 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;1-methylpyrrolidin-1-ium is sourced from PubChem (CID 87600687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).