ethyl(trimethyl)azanium;fluoro difluoromethanesulfonate

C6H15F3NO3S+ — CID 87457651

IUPACethyl(trimethyl)azanium;fluoro difluoromethanesulfonate
SMILESCC[N+](C)(C)C.O=S(=O)(OF)C(F)F
InChIInChI=1S/C5H14N.CHF3O3S/c1-5-6(2,3)4;2-1(3)8(5,6)7-4/h5H2,1-4H3;1H/q+1;
InChIKeyNADCVECYVIDRIP-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.15
Rot. Bonds3

About ethyl(trimethyl)azanium;fluoro difluoromethanesulfonate

ethyl(trimethyl)azanium;fluoro difluoromethanesulfonate (PubChem CID 87457651) has the molecular formula C6H15F3NO3S+ and a molecular weight of 238.25 g/mol. Its IUPAC name is ethyl(trimethyl)azanium;fluoro difluoromethanesulfonate.

Molecular Properties

Compound Nameethyl(trimethyl)azanium;fluoro difluoromethanesulfonate
PubChem CID87457651
Molecular FormulaC6H15F3NO3S+
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Nameethyl(trimethyl)azanium;fluoro difluoromethanesulfonate
SMILESCC[N+](C)(C)C.O=S(=O)(OF)C(F)F
InChIInChI=1S/C5H14N.CHF3O3S/c1-5-6(2,3)4;2-1(3)8(5,6)7-4/h5H2,1-4H3;1H/q+1;
InChIKeyNADCVECYVIDRIP-UHFFFAOYSA-N
XLogP1.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 175560297
magnesium;fluoro difluoromethanesulfonate;hydride
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fluoro propane-2-sulfonate
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fluoro ethanesulfonate;tetraethylazanium
CID 175189438
ethyl(trimethyl)azanium;dihydrate
CID 174491612
ethyl(trimethyl)azanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 175259089
tert-butyl difluoromethanesulfonate
CID 175837942
trimethyl-[2-(2-sulfobutanoyloxy)ethyl]azanium
CID 175376456
ethyl fluoro sulfate
CID 88599587
trifluoromethyl difluoromethanesulfonate
CID 154354026
amino(trimethyl)azanium;ethyl(trimethyl)azanium
CID 173458972
ethyl(trimethyl)azanium;methane;trimethyl(propan-2-yl)azanium
CID 161494736

Frequently Asked Questions

What is the IUPAC name of ethyl(trimethyl)azanium;fluoro difluoromethanesulfonate?
The IUPAC name of ethyl(trimethyl)azanium;fluoro difluoromethanesulfonate (CID 87457651) is ethyl(trimethyl)azanium;fluoro difluoromethanesulfonate.
What is the SMILES notation for ethyl(trimethyl)azanium;fluoro difluoromethanesulfonate?
The canonical SMILES for ethyl(trimethyl)azanium;fluoro difluoromethanesulfonate is CC[N+](C)(C)C.O=S(=O)(OF)C(F)F.
What is the InChIKey of ethyl(trimethyl)azanium;fluoro difluoromethanesulfonate?
The InChIKey is NADCVECYVIDRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N.CHF3O3S/c1-5-6(2,3)4;2-1(3)8(5,6)7-4/h5H2,1-4H3;1H/q+1;.
What are the key properties of ethyl(trimethyl)azanium;fluoro difluoromethanesulfonate?
ethyl(trimethyl)azanium;fluoro difluoromethanesulfonate has a molecular weight of 238.25 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(trimethyl)azanium;fluoro difluoromethanesulfonate is sourced from PubChem (CID 87457651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).