lithium N,N-bis(2,2,3,3,3-pentafluoropropyl)sulfamate

C6H4F10LiNO3S — CID 153347502

IUPAClithium N,N-bis(2,2,3,3,3-pentafluoropropyl)sulfamate
SMILESO=S(=O)([O-])N(CC(F)(F)C(F)(F)F)CC(F)(F)C(F)(F)F.[Li+]
InChIInChI=1S/C6H5F10NO3S.Li/c7-3(8,5(11,12)13)1-17(21(18,19)20)2-4(9,10)6(14,15)16;/h1-2H2,(H,18,19,20);/q;+1/p-1
InChIKeyNKCANMMLCKSUFU-UHFFFAOYSA-M
MW367.09 g/mol
LogP-0.85
Rot. Bonds5

About lithium N,N-bis(2,2,3,3,3-pentafluoropropyl)sulfamate

lithium N,N-bis(2,2,3,3,3-pentafluoropropyl)sulfamate (PubChem CID 153347502) has the molecular formula C6H4F10LiNO3S and a molecular weight of 367.09 g/mol. Its IUPAC name is lithium N,N-bis(2,2,3,3,3-pentafluoropropyl)sulfamate.

Molecular Properties

Compound Namelithium N,N-bis(2,2,3,3,3-pentafluoropropyl)sulfamate
PubChem CID153347502
Molecular FormulaC6H4F10LiNO3S
Molecular Weight367.09 g/mol
Exact Mass366.99
IUPAC Namelithium N,N-bis(2,2,3,3,3-pentafluoropropyl)sulfamate
SMILESO=S(=O)([O-])N(CC(F)(F)C(F)(F)F)CC(F)(F)C(F)(F)F.[Li+]
InChIInChI=1S/C6H5F10NO3S.Li/c7-3(8,5(11,12)13)1-17(21(18,19)20)2-4(9,10)6(14,15)16;/h1-2H2,(H,18,19,20);/q;+1/p-1
InChIKeyNKCANMMLCKSUFU-UHFFFAOYSA-M
XLogP-0.85
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.09
LogP ≤ 5-0.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium N,N-bis(2,2,3,3,3-pentafluoropropyl)sulfamate?
The IUPAC name of lithium N,N-bis(2,2,3,3,3-pentafluoropropyl)sulfamate (CID 153347502) is lithium N,N-bis(2,2,3,3,3-pentafluoropropyl)sulfamate.
What is the SMILES notation for lithium N,N-bis(2,2,3,3,3-pentafluoropropyl)sulfamate?
The canonical SMILES for lithium N,N-bis(2,2,3,3,3-pentafluoropropyl)sulfamate is O=S(=O)([O-])N(CC(F)(F)C(F)(F)F)CC(F)(F)C(F)(F)F.[Li+].
What is the InChIKey of lithium N,N-bis(2,2,3,3,3-pentafluoropropyl)sulfamate?
The InChIKey is NKCANMMLCKSUFU-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5F10NO3S.Li/c7-3(8,5(11,12)13)1-17(21(18,19)20)2-4(9,10)6(14,15)16;/h1-2H2,(H,18,19,20);/q;+1/p-1.
What are the key properties of lithium N,N-bis(2,2,3,3,3-pentafluoropropyl)sulfamate?
lithium N,N-bis(2,2,3,3,3-pentafluoropropyl)sulfamate has a molecular weight of 367.09 g/mol, XLogP of -0.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N,N-bis(2,2,3,3,3-pentafluoropropyl)sulfamate is sourced from PubChem (CID 153347502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).