CID 175985522

C11H20F6LiN2O4S2 — CID 175985522

IUPAC—
SMILESCCCC[N+]1(C)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li]
InChIInChI=1S/C9H20N.C2F6NO4S2.Li/c1-3-4-7-10(2)8-5-6-9-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h3-9H2,1-2H3;;/q+1;-1;
InChIKeyCXKGIJBZSWXGGW-UHFFFAOYSA-N
MW429.35 g/mol
LogP2.71
Rot. Bonds5

About CID 175985522

CID 175985522 (PubChem CID 175985522) has the molecular formula C11H20F6LiN2O4S2 and a molecular weight of 429.35 g/mol.

Molecular Properties

Compound NameCID 175985522
PubChem CID175985522
Molecular FormulaC11H20F6LiN2O4S2
Molecular Weight429.35 g/mol
Exact Mass429.09
IUPAC Name—
SMILESCCCC[N+]1(C)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li]
InChIInChI=1S/C9H20N.C2F6NO4S2.Li/c1-3-4-7-10(2)8-5-6-9-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h3-9H2,1-2H3;;/q+1;-1;
InChIKeyCXKGIJBZSWXGGW-UHFFFAOYSA-N
XLogP2.71
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.35
LogP ≤ 52.71
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

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bis(1-butyl-1-methylpyrrolidin-1-ium);hydrogen sulfate
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bis(trifluoromethylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium
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1-butyl-1-methylpyrrolidin-1-ium iodide
CID 11076461
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CID 159740168
1-heptyl-1-methylpyrrolidin-1-ium;methanesulfonate
CID 171569555
1-hexyl-1-methylpyrrolidin-1-ium;methanesulfonate
CID 86213059

Frequently Asked Questions

What is the IUPAC name of CID 175985522?
The IUPAC name of CID 175985522 (CID 175985522) is not available.
What is the SMILES notation for CID 175985522?
The canonical SMILES for CID 175985522 is CCCC[N+]1(C)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li].
What is the InChIKey of CID 175985522?
The InChIKey is CXKGIJBZSWXGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N.C2F6NO4S2.Li/c1-3-4-7-10(2)8-5-6-9-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h3-9H2,1-2H3;;/q+1;-1;.
What are the key properties of CID 175985522?
CID 175985522 has a molecular weight of 429.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175985522 is sourced from PubChem (CID 175985522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).