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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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).