N,N-diethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride

C8H16F6N2O4S2 — CID 118659646

IUPACN,N-diethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride
SMILESCCN(CC)CC.O=S(=O)(F)NS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H15N.C2HF6NO4S2/c1-4-7(5-2)6-3;3-1(4,5)2(6,7)14(10,11)9-15(8,12)13/h4-6H2,1-3H3;9H
InChIKeyFTYNCWXCRPPEMT-UHFFFAOYSA-N
MW382.35 g/mol
LogP1.62
Rot. Bonds6

About N,N-diethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride

N,N-diethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride (PubChem CID 118659646) has the molecular formula C8H16F6N2O4S2 and a molecular weight of 382.35 g/mol. Its IUPAC name is N,N-diethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride.

Molecular Properties

Compound NameN,N-diethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride
PubChem CID118659646
Molecular FormulaC8H16F6N2O4S2
Molecular Weight382.35 g/mol
Exact Mass382.05
IUPAC NameN,N-diethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride
SMILESCCN(CC)CC.O=S(=O)(F)NS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H15N.C2HF6NO4S2/c1-4-7(5-2)6-3;3-1(4,5)2(6,7)14(10,11)9-15(8,12)13/h4-6H2,1-3H3;9H
InChIKeyFTYNCWXCRPPEMT-UHFFFAOYSA-N
XLogP1.62
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride?
The IUPAC name of N,N-diethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride (CID 118659646) is N,N-diethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride.
What is the SMILES notation for N,N-diethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride?
The canonical SMILES for N,N-diethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride is CCN(CC)CC.O=S(=O)(F)NS(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of N,N-diethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride?
The InChIKey is FTYNCWXCRPPEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C2HF6NO4S2/c1-4-7(5-2)6-3;3-1(4,5)2(6,7)14(10,11)9-15(8,12)13/h4-6H2,1-3H3;9H.
What are the key properties of N,N-diethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride?
N,N-diethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride has a molecular weight of 382.35 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride is sourced from PubChem (CID 118659646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).