(difluoro-λ4-sulfanylidene)-diethylazanium;trifluoromethanesulfonate

C5H10F5NO3S2 — CID 46221211

IUPAC(difluoro-λ4-sulfanylidene)-diethylazanium;trifluoromethanesulfonate
SMILESCC[N+](CC)=S(F)F.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C4H10F2NS.CHF3O3S/c1-3-7(4-2)8(5)6;2-1(3,4)8(5,6)7/h3-4H2,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKeyYTSYWXJMWJTZMO-UHFFFAOYSA-M
MW291.26 g/mol
LogP1.66
Rot. Bonds2

About (difluoro-λ4-sulfanylidene)-diethylazanium;trifluoromethanesulfonate

(difluoro-λ4-sulfanylidene)-diethylazanium;trifluoromethanesulfonate (PubChem CID 46221211) has the molecular formula C5H10F5NO3S2 and a molecular weight of 291.26 g/mol. Its IUPAC name is (difluoro-λ4-sulfanylidene)-diethylazanium;trifluoromethanesulfonate.

Molecular Properties

Compound Name(difluoro-λ4-sulfanylidene)-diethylazanium;trifluoromethanesulfonate
PubChem CID46221211
Molecular FormulaC5H10F5NO3S2
Molecular Weight291.26 g/mol
Exact Mass291.00
IUPAC Name(difluoro-λ4-sulfanylidene)-diethylazanium;trifluoromethanesulfonate
SMILESCC[N+](CC)=S(F)F.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C4H10F2NS.CHF3O3S/c1-3-7(4-2)8(5)6;2-1(3,4)8(5,6)7/h3-4H2,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKeyYTSYWXJMWJTZMO-UHFFFAOYSA-M
XLogP1.66
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (difluoro-λ4-sulfanylidene)-diethylazanium;trifluoromethanesulfonate?
The IUPAC name of (difluoro-λ4-sulfanylidene)-diethylazanium;trifluoromethanesulfonate (CID 46221211) is (difluoro-λ4-sulfanylidene)-diethylazanium;trifluoromethanesulfonate.
What is the SMILES notation for (difluoro-λ4-sulfanylidene)-diethylazanium;trifluoromethanesulfonate?
The canonical SMILES for (difluoro-λ4-sulfanylidene)-diethylazanium;trifluoromethanesulfonate is CC[N+](CC)=S(F)F.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of (difluoro-λ4-sulfanylidene)-diethylazanium;trifluoromethanesulfonate?
The InChIKey is YTSYWXJMWJTZMO-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10F2NS.CHF3O3S/c1-3-7(4-2)8(5)6;2-1(3,4)8(5,6)7/h3-4H2,1-2H3;(H,5,6,7)/q+1;/p-1.
What are the key properties of (difluoro-λ4-sulfanylidene)-diethylazanium;trifluoromethanesulfonate?
(difluoro-λ4-sulfanylidene)-diethylazanium;trifluoromethanesulfonate has a molecular weight of 291.26 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (difluoro-λ4-sulfanylidene)-diethylazanium;trifluoromethanesulfonate is sourced from PubChem (CID 46221211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).