cesium 3-methoxypropyl(trifluoromethylsulfonyl)azanide

C5H9CsF3NO3S — CID 101206173

IUPACcesium 3-methoxypropyl(trifluoromethylsulfonyl)azanide
SMILESCOCCC[N-]S(=O)(=O)C(F)(F)F.[Cs+]
InChIInChI=1S/C5H9F3NO3S.Cs/c1-12-4-2-3-9-13(10,11)5(6,7)8;/h2-4H2,1H3;/q-1;+1
InChIKeyRFRWXSHFEAQZNB-UHFFFAOYSA-N
MW353.10 g/mol
LogP-1.75
Rot. Bonds5

About cesium 3-methoxypropyl(trifluoromethylsulfonyl)azanide

cesium 3-methoxypropyl(trifluoromethylsulfonyl)azanide (PubChem CID 101206173) has the molecular formula C5H9CsF3NO3S and a molecular weight of 353.10 g/mol. Its IUPAC name is cesium 3-methoxypropyl(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Namecesium 3-methoxypropyl(trifluoromethylsulfonyl)azanide
PubChem CID101206173
Molecular FormulaC5H9CsF3NO3S
Molecular Weight353.10 g/mol
Exact Mass352.93
IUPAC Namecesium 3-methoxypropyl(trifluoromethylsulfonyl)azanide
SMILESCOCCC[N-]S(=O)(=O)C(F)(F)F.[Cs+]
InChIInChI=1S/C5H9F3NO3S.Cs/c1-12-4-2-3-9-13(10,11)5(6,7)8;/h2-4H2,1H3;/q-1;+1
InChIKeyRFRWXSHFEAQZNB-UHFFFAOYSA-N
XLogP-1.75
TPSA57.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.10
LogP ≤ 5-1.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cesium 3-methoxypropyl(trifluoromethylsulfonyl)azanide?
The IUPAC name of cesium 3-methoxypropyl(trifluoromethylsulfonyl)azanide (CID 101206173) is cesium 3-methoxypropyl(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for cesium 3-methoxypropyl(trifluoromethylsulfonyl)azanide?
The canonical SMILES for cesium 3-methoxypropyl(trifluoromethylsulfonyl)azanide is COCCC[N-]S(=O)(=O)C(F)(F)F.[Cs+].
What is the InChIKey of cesium 3-methoxypropyl(trifluoromethylsulfonyl)azanide?
The InChIKey is RFRWXSHFEAQZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3NO3S.Cs/c1-12-4-2-3-9-13(10,11)5(6,7)8;/h2-4H2,1H3;/q-1;+1.
What are the key properties of cesium 3-methoxypropyl(trifluoromethylsulfonyl)azanide?
cesium 3-methoxypropyl(trifluoromethylsulfonyl)azanide has a molecular weight of 353.10 g/mol, XLogP of -1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cesium 3-methoxypropyl(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 101206173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).