lithium N-(2,2-difluorocyclobutyl)sulfamate

C4H6F2LiNO3S — CID 156663453

IUPAClithium N-(2,2-difluorocyclobutyl)sulfamate
SMILESO=S(=O)([O-])NC1CCC1(F)F.[Li+]
InChIInChI=1S/C4H7F2NO3S.Li/c5-4(6)2-1-3(4)7-11(8,9)10;/h3,7H,1-2H2,(H,8,9,10);/q;+1/p-1
InChIKeyVSUYFFJNBRMHSO-UHFFFAOYSA-M
MW193.10 g/mol
LogP-3.16
Rot. Bonds2

About lithium N-(2,2-difluorocyclobutyl)sulfamate

lithium N-(2,2-difluorocyclobutyl)sulfamate (PubChem CID 156663453) has the molecular formula C4H6F2LiNO3S and a molecular weight of 193.10 g/mol. Its IUPAC name is lithium N-(2,2-difluorocyclobutyl)sulfamate.

Molecular Properties

Compound Namelithium N-(2,2-difluorocyclobutyl)sulfamate
PubChem CID156663453
Molecular FormulaC4H6F2LiNO3S
Molecular Weight193.10 g/mol
Exact Mass193.02
IUPAC Namelithium N-(2,2-difluorocyclobutyl)sulfamate
SMILESO=S(=O)([O-])NC1CCC1(F)F.[Li+]
InChIInChI=1S/C4H7F2NO3S.Li/c5-4(6)2-1-3(4)7-11(8,9)10;/h3,7H,1-2H2,(H,8,9,10);/q;+1/p-1
InChIKeyVSUYFFJNBRMHSO-UHFFFAOYSA-M
XLogP-3.16
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.10
LogP ≤ 5-3.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclobutyl-1,1,1-trifluoromethanesulfonamide
CID 23208885
(2,2-Difluorocyclobutyl)sulfamic acid
CID 148939328
(3,3-Difluorocyclobutyl)sulfamic acid
CID 149280995
lithium N-(3,3-difluorocyclobutyl)sulfamate
CID 156663409
methyl N-(3,3-difluorocyclobutyl)sulfamate
CID 169607057
1-N-(2,2,2-trifluoroethylsulfamoyl)cyclobutane-1,3-diamine
CID 114810347
N-(3,3-difluorocyclobutyl)sulfamoyl chloride
CID 119095874
N-(3,3-Difluorocyclobutyl)sulfamide
CID 131175192

Frequently Asked Questions

What is the IUPAC name of lithium N-(2,2-difluorocyclobutyl)sulfamate?
The IUPAC name of lithium N-(2,2-difluorocyclobutyl)sulfamate (CID 156663453) is lithium N-(2,2-difluorocyclobutyl)sulfamate.
What is the SMILES notation for lithium N-(2,2-difluorocyclobutyl)sulfamate?
The canonical SMILES for lithium N-(2,2-difluorocyclobutyl)sulfamate is O=S(=O)([O-])NC1CCC1(F)F.[Li+].
What is the InChIKey of lithium N-(2,2-difluorocyclobutyl)sulfamate?
The InChIKey is VSUYFFJNBRMHSO-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H7F2NO3S.Li/c5-4(6)2-1-3(4)7-11(8,9)10;/h3,7H,1-2H2,(H,8,9,10);/q;+1/p-1.
What are the key properties of lithium N-(2,2-difluorocyclobutyl)sulfamate?
lithium N-(2,2-difluorocyclobutyl)sulfamate has a molecular weight of 193.10 g/mol, XLogP of -3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N-(2,2-difluorocyclobutyl)sulfamate is sourced from PubChem (CID 156663453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).