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

C6H12F6N2O4S2 — CID 118659653

IUPACN-ethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride
SMILESCCNCC.O=S(=O)(F)NS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H11N.C2HF6NO4S2/c1-3-5-4-2;3-1(4,5)2(6,7)14(10,11)9-15(8,12)13/h5H,3-4H2,1-2H3;9H
InChIKeyLNIPUHPZCCCMHC-UHFFFAOYSA-N
MW354.29 g/mol
LogP0.89
Rot. Bonds5

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

N-ethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride (PubChem CID 118659653) has the molecular formula C6H12F6N2O4S2 and a molecular weight of 354.29 g/mol. Its IUPAC name is N-ethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride.

Molecular Properties

Compound NameN-ethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride
PubChem CID118659653
Molecular FormulaC6H12F6N2O4S2
Molecular Weight354.29 g/mol
Exact Mass354.01
IUPAC NameN-ethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride
SMILESCCNCC.O=S(=O)(F)NS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H11N.C2HF6NO4S2/c1-3-5-4-2;3-1(4,5)2(6,7)14(10,11)9-15(8,12)13/h5H,3-4H2,1-2H3;9H
InChIKeyLNIPUHPZCCCMHC-UHFFFAOYSA-N
XLogP0.89
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 50.89
H-Bond Donors ≤ 52
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-ethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride?
The IUPAC name of N-ethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride (CID 118659653) is N-ethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride.
What is the SMILES notation for N-ethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride?
The canonical SMILES for N-ethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride is CCNCC.O=S(=O)(F)NS(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of N-ethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride?
The InChIKey is LNIPUHPZCCCMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C2HF6NO4S2/c1-3-5-4-2;3-1(4,5)2(6,7)14(10,11)9-15(8,12)13/h5H,3-4H2,1-2H3;9H.
What are the key properties of N-ethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride?
N-ethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride has a molecular weight of 354.29 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride is sourced from PubChem (CID 118659653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).