bis(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazol-3-ium

C12H18F6N2O7S3 — CID 159805189

IUPACbis(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazol-3-ium
SMILESCOCCOCCOCCc1[nH+]ccs1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H17NO3S.C2F6NO4S2/c1-12-5-6-14-8-7-13-4-2-10-11-3-9-15-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3,9H,2,4-8H2,1H3;/q;-1/p+1
InChIKeyNKHLVEGVJUEAFV-UHFFFAOYSA-O
MW512.47 g/mol
LogP1.84
Rot. Bonds11

About bis(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazol-3-ium

bis(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazol-3-ium (PubChem CID 159805189) has the molecular formula C12H18F6N2O7S3 and a molecular weight of 512.47 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazol-3-ium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazol-3-ium
PubChem CID159805189
Molecular FormulaC12H18F6N2O7S3
Molecular Weight512.47 g/mol
Exact Mass512.02
IUPAC Namebis(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazol-3-ium
SMILESCOCCOCCOCCc1[nH+]ccs1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H17NO3S.C2F6NO4S2/c1-12-5-6-14-8-7-13-4-2-10-11-3-9-15-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3,9H,2,4-8H2,1H3;/q;-1/p+1
InChIKeyNKHLVEGVJUEAFV-UHFFFAOYSA-O
XLogP1.84
TPSA124.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.47
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

tetramagnesium;tetrakis(bis(trifluoromethylsulfonyl)azanide);octakis(1,2-dimethoxyethane);tetrachloride
CID 139051336
bis(trifluoromethylsulfonyl)azanide;uranium
CID 162552088
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 91716907
bis(trifluoromethylsulfonyl)azanide;N-ethyl-2,2,2-trifluoro-N-(2-methoxyethyl)ethanamine
CID 157108793
lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)
CID 5257331
4-(2-methoxyethoxy)butyl trifluoromethanesulfonate
CID 139845363
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-[2-(trifluoromethylsulfonyl)ethylselanylmethyl]benzene
CID 58884115
[dihydroxy-[2,3,5,6-tetrafluoro-4-[3-(2-methoxyethoxy)propanoyloxy]phenyl]-λ4-sulfanyl]oxidanium
CID 163402826
2-(2-methoxyethoxy)ethyl thiophene-2-carboxylate
CID 174814348
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate
CID 91730617
magnesium;tetrakis(bis(trifluoromethylsulfonyl)azanide);manganese(2+)
CID 163413533
[4-[4-(2-methoxyethoxycarbonyl)hexan-2-yl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide
CID 155602041

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazol-3-ium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazol-3-ium (CID 159805189) is bis(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazol-3-ium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazol-3-ium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazol-3-ium is COCCOCCOCCc1[nH+]ccs1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazol-3-ium?
The InChIKey is NKHLVEGVJUEAFV-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H17NO3S.C2F6NO4S2/c1-12-5-6-14-8-7-13-4-2-10-11-3-9-15-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3,9H,2,4-8H2,1H3;/q;-1/p+1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazol-3-ium?
bis(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazol-3-ium has a molecular weight of 512.47 g/mol, XLogP of 1.84, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazol-3-ium is sourced from PubChem (CID 159805189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).