trifluoromethanesulfonate;trimethyl(oxiran-2-ylmethyl)azanium

C7H14F3NO4S — CID 23088867

IUPACtrifluoromethanesulfonate;trimethyl(oxiran-2-ylmethyl)azanium
SMILESC[N+](C)(C)CC1CO1.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C6H14NO.CHF3O3S/c1-7(2,3)4-6-5-8-6;2-1(3,4)8(5,6)7/h6H,4-5H2,1-3H3;(H,5,6,7)/q+1;/p-1
InChIKeyIQZRBOPLVCXUST-UHFFFAOYSA-M
MW265.25 g/mol
LogP0.14
Rot. Bonds2

About trifluoromethanesulfonate;trimethyl(oxiran-2-ylmethyl)azanium

trifluoromethanesulfonate;trimethyl(oxiran-2-ylmethyl)azanium (PubChem CID 23088867) has the molecular formula C7H14F3NO4S and a molecular weight of 265.25 g/mol. Its IUPAC name is trifluoromethanesulfonate;trimethyl(oxiran-2-ylmethyl)azanium.

Molecular Properties

Compound Nametrifluoromethanesulfonate;trimethyl(oxiran-2-ylmethyl)azanium
PubChem CID23088867
Molecular FormulaC7H14F3NO4S
Molecular Weight265.25 g/mol
Exact Mass265.06
IUPAC Nametrifluoromethanesulfonate;trimethyl(oxiran-2-ylmethyl)azanium
SMILESC[N+](C)(C)CC1CO1.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C6H14NO.CHF3O3S/c1-7(2,3)4-6-5-8-6;2-1(3,4)8(5,6)7/h6H,4-5H2,1-3H3;(H,5,6,7)/q+1;/p-1
InChIKeyIQZRBOPLVCXUST-UHFFFAOYSA-M
XLogP0.14
TPSA69.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze trifluoromethanesulfonate;trimethyl(oxiran-2-ylmethyl)azanium 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 trifluoromethanesulfonate;trimethyl(oxiran-2-ylmethyl)azanium?
The IUPAC name of trifluoromethanesulfonate;trimethyl(oxiran-2-ylmethyl)azanium (CID 23088867) is trifluoromethanesulfonate;trimethyl(oxiran-2-ylmethyl)azanium.
What is the SMILES notation for trifluoromethanesulfonate;trimethyl(oxiran-2-ylmethyl)azanium?
The canonical SMILES for trifluoromethanesulfonate;trimethyl(oxiran-2-ylmethyl)azanium is C[N+](C)(C)CC1CO1.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of trifluoromethanesulfonate;trimethyl(oxiran-2-ylmethyl)azanium?
The InChIKey is IQZRBOPLVCXUST-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14NO.CHF3O3S/c1-7(2,3)4-6-5-8-6;2-1(3,4)8(5,6)7/h6H,4-5H2,1-3H3;(H,5,6,7)/q+1;/p-1.
What are the key properties of trifluoromethanesulfonate;trimethyl(oxiran-2-ylmethyl)azanium?
trifluoromethanesulfonate;trimethyl(oxiran-2-ylmethyl)azanium has a molecular weight of 265.25 g/mol, XLogP of 0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethanesulfonate;trimethyl(oxiran-2-ylmethyl)azanium is sourced from PubChem (CID 23088867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).