lithium N,N-bis(2,2,2-trifluoroethyl)sulfamate

C4H4F6LiNO3S — CID 153347504

IUPAClithium N,N-bis(2,2,2-trifluoroethyl)sulfamate
SMILESO=S(=O)([O-])N(CC(F)(F)F)CC(F)(F)F.[Li+]
InChIInChI=1S/C4H5F6NO3S.Li/c5-3(6,7)1-11(15(12,13)14)2-4(8,9)10;/h1-2H2,(H,12,13,14);/q;+1/p-1
InChIKeyAQVMKJIIPQRUPP-UHFFFAOYSA-M
MW267.08 g/mol
LogP-2.12
Rot. Bonds3

About lithium N,N-bis(2,2,2-trifluoroethyl)sulfamate

lithium N,N-bis(2,2,2-trifluoroethyl)sulfamate (PubChem CID 153347504) has the molecular formula C4H4F6LiNO3S and a molecular weight of 267.08 g/mol. Its IUPAC name is lithium N,N-bis(2,2,2-trifluoroethyl)sulfamate.

Molecular Properties

Compound Namelithium N,N-bis(2,2,2-trifluoroethyl)sulfamate
PubChem CID153347504
Molecular FormulaC4H4F6LiNO3S
Molecular Weight267.08 g/mol
Exact Mass267.00
IUPAC Namelithium N,N-bis(2,2,2-trifluoroethyl)sulfamate
SMILESO=S(=O)([O-])N(CC(F)(F)F)CC(F)(F)F.[Li+]
InChIInChI=1S/C4H5F6NO3S.Li/c5-3(6,7)1-11(15(12,13)14)2-4(8,9)10;/h1-2H2,(H,12,13,14);/q;+1/p-1
InChIKeyAQVMKJIIPQRUPP-UHFFFAOYSA-M
XLogP-2.12
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 5-2.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

potassium;N-ethyl-N-(2,2,2-trifluoroethyl)sulfamate
CID 23705465
sodium;N-ethyl-N-(2,2,2-trifluoroethyl)sulfamate
CID 23705470
1,1,1-Trifluoro-2-[sulfinato(2,2,2-trifluoroethyl)amino]ethane
CID 91273389
Bis(2,2,2-trifluoroethyl)sulfamic acid
CID 139534708
chloro N,N-bis(2,2,2-trifluoroethyl)sulfamate
CID 139547172
lithium N,N-bis(2,2,3,3,3-pentafluoropropyl)sulfamate
CID 153347502
lithium N-methyl-N-(2,2,2-trifluoroethyl)sulfamate
CID 155756495
methyl N,N-bis(2,2,2-trifluoroethyl)sulfamate
CID 166859239
sodium N,N-bis(2,2,2-trifluoroethyl)sulfamate
CID 178600361
Bis-(2,2,2-trifluoro-ethyl)-sulfamoylchloride
CID 53256749
N-ethyl-N-(2,2,2-trifluoroethyl)sulfamoyl chloride
CID 61605962
1,1,1-Trifluoro-2-[sulfino(2,2,2-trifluoroethyl)amino]ethane
CID 91273390

Frequently Asked Questions

What is the IUPAC name of lithium N,N-bis(2,2,2-trifluoroethyl)sulfamate?
The IUPAC name of lithium N,N-bis(2,2,2-trifluoroethyl)sulfamate (CID 153347504) is lithium N,N-bis(2,2,2-trifluoroethyl)sulfamate.
What is the SMILES notation for lithium N,N-bis(2,2,2-trifluoroethyl)sulfamate?
The canonical SMILES for lithium N,N-bis(2,2,2-trifluoroethyl)sulfamate is O=S(=O)([O-])N(CC(F)(F)F)CC(F)(F)F.[Li+].
What is the InChIKey of lithium N,N-bis(2,2,2-trifluoroethyl)sulfamate?
The InChIKey is AQVMKJIIPQRUPP-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H5F6NO3S.Li/c5-3(6,7)1-11(15(12,13)14)2-4(8,9)10;/h1-2H2,(H,12,13,14);/q;+1/p-1.
What are the key properties of lithium N,N-bis(2,2,2-trifluoroethyl)sulfamate?
lithium N,N-bis(2,2,2-trifluoroethyl)sulfamate has a molecular weight of 267.08 g/mol, XLogP of -2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N,N-bis(2,2,2-trifluoroethyl)sulfamate is sourced from PubChem (CID 153347504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).