2-(1-fluoro-2-sulfoethoxy)ethyl-trimethylazanium

C7H17FNO4S+ — CID 175088108

IUPAC2-(1-fluoro-2-sulfoethoxy)ethyl-trimethylazanium
SMILESC[N+](C)(C)CCOC(F)CS(=O)(=O)O
InChIInChI=1S/C7H16FNO4S/c1-9(2,3)4-5-13-7(8)6-14(10,11)12/h7H,4-6H2,1-3H3/p+1
InChIKeyAQUUVCORGRVXDG-UHFFFAOYSA-O
MW230.28 g/mol
LogP-0.11
Rot. Bonds6

About 2-(1-fluoro-2-sulfoethoxy)ethyl-trimethylazanium

2-(1-fluoro-2-sulfoethoxy)ethyl-trimethylazanium (PubChem CID 175088108) has the molecular formula C7H17FNO4S+ and a molecular weight of 230.28 g/mol. Its IUPAC name is 2-(1-fluoro-2-sulfoethoxy)ethyl-trimethylazanium.

Molecular Properties

Compound Name2-(1-fluoro-2-sulfoethoxy)ethyl-trimethylazanium
PubChem CID175088108
Molecular FormulaC7H17FNO4S+
Molecular Weight230.28 g/mol
Exact Mass230.09
IUPAC Name2-(1-fluoro-2-sulfoethoxy)ethyl-trimethylazanium
SMILESC[N+](C)(C)CCOC(F)CS(=O)(=O)O
InChIInChI=1S/C7H16FNO4S/c1-9(2,3)4-5-13-7(8)6-14(10,11)12/h7H,4-6H2,1-3H3/p+1
InChIKeyAQUUVCORGRVXDG-UHFFFAOYSA-O
XLogP-0.11
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
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'}

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Related Compounds

1-Fluoro-2-morpholin-4-ylethanesulfonic acid
CID 54561398
2-[2-(Dimethylamino)ethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid
CID 118030888
2-Ethoxyethyl(trimethyl)azanium;4,4,4-trifluorobutane-1-sulfonate
CID 139947474
Trimethyl-[2-(2,2,2-trifluoro-1-sulfoethoxy)ethyl]azanium chloride
CID 175086924
2-(4-Ethylmorpholin-4-ium-4-yl)ethanesulfonic acid
CID 91156240
Trimethyl-[2-(2,2,2-trifluoro-1-sulfoethoxy)ethyl]azanium
CID 175086925
2-(1-Fluoro-2-sulfoethenoxy)ethyl-trimethylazanium
CID 175307495
2-(4-Methylmorpholin-4-ium-4-yl)ethanesulfonic acid
CID 12260036
4-[2-(Dimethylamino)ethoxy]butane-1-sulfonic acid
CID 20612927
4-[2-[2-[2-[2-(Dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonic acid
CID 20751068
Dimethyl-(2-propan-2-yloxyethyl)-(2-sulfoethyl)azanium
CID 57626798
Bis(2-methoxyethyl)-methyl-(2-sulfoethyl)azanium
CID 57777005

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoro-2-sulfoethoxy)ethyl-trimethylazanium?
The IUPAC name of 2-(1-fluoro-2-sulfoethoxy)ethyl-trimethylazanium (CID 175088108) is 2-(1-fluoro-2-sulfoethoxy)ethyl-trimethylazanium.
What is the SMILES notation for 2-(1-fluoro-2-sulfoethoxy)ethyl-trimethylazanium?
The canonical SMILES for 2-(1-fluoro-2-sulfoethoxy)ethyl-trimethylazanium is C[N+](C)(C)CCOC(F)CS(=O)(=O)O.
What is the InChIKey of 2-(1-fluoro-2-sulfoethoxy)ethyl-trimethylazanium?
The InChIKey is AQUUVCORGRVXDG-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H16FNO4S/c1-9(2,3)4-5-13-7(8)6-14(10,11)12/h7H,4-6H2,1-3H3/p+1.
What are the key properties of 2-(1-fluoro-2-sulfoethoxy)ethyl-trimethylazanium?
2-(1-fluoro-2-sulfoethoxy)ethyl-trimethylazanium has a molecular weight of 230.28 g/mol, XLogP of -0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoro-2-sulfoethoxy)ethyl-trimethylazanium is sourced from PubChem (CID 175088108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).