N,N-diethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride

C7H16F4N2O4S2 — CID 118659665

IUPACN,N-diethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride
SMILESCCN(CC)CC.O=S(=O)(F)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H15N.CHF4NO4S2/c1-4-7(5-2)6-3;2-1(3,4)11(7,8)6-12(5,9)10/h4-6H2,1-3H3;6H
InChIKeyRZOZCJHGSUGTPF-UHFFFAOYSA-N
MW332.34 g/mol
LogP0.99
Rot. Bonds5

About N,N-diethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride

N,N-diethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride (PubChem CID 118659665) has the molecular formula C7H16F4N2O4S2 and a molecular weight of 332.34 g/mol. Its IUPAC name is N,N-diethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride.

Molecular Properties

Compound NameN,N-diethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride
PubChem CID118659665
Molecular FormulaC7H16F4N2O4S2
Molecular Weight332.34 g/mol
Exact Mass332.05
IUPAC NameN,N-diethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride
SMILESCCN(CC)CC.O=S(=O)(F)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H15N.CHF4NO4S2/c1-4-7(5-2)6-3;2-1(3,4)11(7,8)6-12(5,9)10/h4-6H2,1-3H3;6H
InChIKeyRZOZCJHGSUGTPF-UHFFFAOYSA-N
XLogP0.99
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-diethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride?
The IUPAC name of N,N-diethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride (CID 118659665) is N,N-diethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride.
What is the SMILES notation for N,N-diethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride?
The canonical SMILES for N,N-diethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride is CCN(CC)CC.O=S(=O)(F)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N,N-diethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride?
The InChIKey is RZOZCJHGSUGTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.CHF4NO4S2/c1-4-7(5-2)6-3;2-1(3,4)11(7,8)6-12(5,9)10/h4-6H2,1-3H3;6H.
What are the key properties of N,N-diethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride?
N,N-diethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride has a molecular weight of 332.34 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride is sourced from PubChem (CID 118659665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).