ethyl(trimethyl)azanium;trifluoromethanesulfonate

C6H14F3NO3S — CID 87457650

IUPACethyl(trimethyl)azanium;trifluoromethanesulfonate
SMILESCC[N+](C)(C)C.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C5H14N.CHF3O3S/c1-5-6(2,3)4;2-1(3,4)8(5,6)7/h5H2,1-4H3;(H,5,6,7)/q+1;/p-1
InChIKeyIVBRXIDDEMLRSG-UHFFFAOYSA-M
MW237.24 g/mol
LogP0.76
Rot. Bonds1

About ethyl(trimethyl)azanium;trifluoromethanesulfonate

ethyl(trimethyl)azanium;trifluoromethanesulfonate (PubChem CID 87457650) has the molecular formula C6H14F3NO3S and a molecular weight of 237.24 g/mol. Its IUPAC name is ethyl(trimethyl)azanium;trifluoromethanesulfonate.

Molecular Properties

Compound Nameethyl(trimethyl)azanium;trifluoromethanesulfonate
PubChem CID87457650
Molecular FormulaC6H14F3NO3S
Molecular Weight237.24 g/mol
Exact Mass237.06
IUPAC Nameethyl(trimethyl)azanium;trifluoromethanesulfonate
SMILESCC[N+](C)(C)C.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C5H14N.CHF3O3S/c1-5-6(2,3)4;2-1(3,4)8(5,6)7/h5H2,1-4H3;(H,5,6,7)/q+1;/p-1
InChIKeyIVBRXIDDEMLRSG-UHFFFAOYSA-M
XLogP0.76
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze ethyl(trimethyl)azanium;trifluoromethanesulfonate with MolForge

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

Launch Full Analysis

Related Compounds

Tetraethylammonium trifluoromethanesulphonate
CID 2776566
Methanesulfonic acid, 1,1,1-trifluoro-, compd. with N,N-diethylethanamine (1:1)
CID 71565
N,N-Diethyl-1,1,1-trifluoromethanesulfonamide
CID 17751979
Tetramethylammonium trifluoromethanesulfonate
CID 21910271
N-diethyldifluoromethanesulfonamide
CID 58436046
N-ethyl-N-methyl-trifluoromethanesulfonamide
CID 88576394
Triethylmethylammonium triflate
CID 11402856
N-ethyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 60758960
N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 60762994
1,1,1-trifluoro-N-methyl-N-propylmethanesulfonamide
CID 88576214
N,N-diethylethanamine;trifluoromethanesulfonyl chloride
CID 88610578
N-(2,2-difluoroethyl)-N-methylmethanesulfonamide
CID 89145475

Frequently Asked Questions

What is the IUPAC name of ethyl(trimethyl)azanium;trifluoromethanesulfonate?
The IUPAC name of ethyl(trimethyl)azanium;trifluoromethanesulfonate (CID 87457650) is ethyl(trimethyl)azanium;trifluoromethanesulfonate.
What is the SMILES notation for ethyl(trimethyl)azanium;trifluoromethanesulfonate?
The canonical SMILES for ethyl(trimethyl)azanium;trifluoromethanesulfonate is CC[N+](C)(C)C.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of ethyl(trimethyl)azanium;trifluoromethanesulfonate?
The InChIKey is IVBRXIDDEMLRSG-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H14N.CHF3O3S/c1-5-6(2,3)4;2-1(3,4)8(5,6)7/h5H2,1-4H3;(H,5,6,7)/q+1;/p-1.
What are the key properties of ethyl(trimethyl)azanium;trifluoromethanesulfonate?
ethyl(trimethyl)azanium;trifluoromethanesulfonate has a molecular weight of 237.24 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(trimethyl)azanium;trifluoromethanesulfonate is sourced from PubChem (CID 87457650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).