N-ethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride

C5H12F4N2O4S2 — CID 118659626

IUPACN-ethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride
SMILESCCNCC.O=S(=O)(F)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H11N.CHF4NO4S2/c1-3-5-4-2;2-1(3,4)11(7,8)6-12(5,9)10/h5H,3-4H2,1-2H3;6H
InChIKeyXTEQBTQSBUQHHK-UHFFFAOYSA-N
MW304.29 g/mol
LogP0.26
Rot. Bonds4

About N-ethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride

N-ethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride (PubChem CID 118659626) has the molecular formula C5H12F4N2O4S2 and a molecular weight of 304.29 g/mol. Its IUPAC name is N-ethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride.

Molecular Properties

Compound NameN-ethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride
PubChem CID118659626
Molecular FormulaC5H12F4N2O4S2
Molecular Weight304.29 g/mol
Exact Mass304.02
IUPAC NameN-ethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride
SMILESCCNCC.O=S(=O)(F)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H11N.CHF4NO4S2/c1-3-5-4-2;2-1(3,4)11(7,8)6-12(5,9)10/h5H,3-4H2,1-2H3;6H
InChIKeyXTEQBTQSBUQHHK-UHFFFAOYSA-N
XLogP0.26
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Triethylammonium bis(trifluoromethylsulfonyl)imide
CID 11014427
N,N-diethyl-N-methylammonium bis(trifluoromethanesulfonyl)imide
CID 129856499
Tripropylammonium bis(trifluoromethanesulfonyl)imide
CID 166451231
Bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;triethylazanium
CID 73555308
N-ethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride
CID 118659653
N,N-diethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride
CID 118659665
1,1-difluoro-N'-(trifluoromethylsulfonyl)-N-[2-(3,3,3-trifluoropropylamino)ethyl]methanedisulfonamide
CID 139545655
Bis(triethylazanium);bis(trifluoromethanesulfonate)
CID 139940018
Bis(trifluoromethylsulfonyl)azanide;cyanomethyl(dimethyl)azanium
CID 140066369
Bis(trifluoromethylsulfonyl)azanide;dipropylazanium
CID 141081545
Bis(trifluoromethylsulfonyl)azanide;propylazanium
CID 141091349
Bis(trifluoromethylsulfonyl)azanide;ethyl-methyl-propylazanium
CID 141091351

Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride?
The IUPAC name of N-ethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride (CID 118659626) is N-ethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride.
What is the SMILES notation for N-ethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride?
The canonical SMILES for N-ethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride is CCNCC.O=S(=O)(F)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-ethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride?
The InChIKey is XTEQBTQSBUQHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.CHF4NO4S2/c1-3-5-4-2;2-1(3,4)11(7,8)6-12(5,9)10/h5H,3-4H2,1-2H3;6H.
What are the key properties of N-ethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride?
N-ethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride has a molecular weight of 304.29 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride is sourced from PubChem (CID 118659626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).