bis(trifluoromethyl)azanide;2-ethyl-1-methyl-1H-imidazol-1-ium

C8H11F6N3 — CID 140726615

IUPACbis(trifluoromethyl)azanide;2-ethyl-1-methyl-1H-imidazol-1-ium
SMILESCCC1=NC=C[NH+]1C.FC(F)(F)[N-]C(F)(F)F
InChIInChI=1S/C6H10N2.C2F6N/c1-3-6-7-4-5-8(6)2;3-1(4,5)9-2(6,7)8/h4-5H,3H2,1-2H3;/q;-1/p+1
InChIKeyGYBBPRHFXZHSDQ-UHFFFAOYSA-O
MW263.19 g/mol
LogP2.19
Rot. Bonds1

About bis(trifluoromethyl)azanide;2-ethyl-1-methyl-1H-imidazol-1-ium

bis(trifluoromethyl)azanide;2-ethyl-1-methyl-1H-imidazol-1-ium (PubChem CID 140726615) has the molecular formula C8H11F6N3 and a molecular weight of 263.19 g/mol. Its IUPAC name is bis(trifluoromethyl)azanide;2-ethyl-1-methyl-1H-imidazol-1-ium.

Molecular Properties

Compound Namebis(trifluoromethyl)azanide;2-ethyl-1-methyl-1H-imidazol-1-ium
PubChem CID140726615
Molecular FormulaC8H11F6N3
Molecular Weight263.19 g/mol
Exact Mass263.09
IUPAC Namebis(trifluoromethyl)azanide;2-ethyl-1-methyl-1H-imidazol-1-ium
SMILESCCC1=NC=C[NH+]1C.FC(F)(F)[N-]C(F)(F)F
InChIInChI=1S/C6H10N2.C2F6N/c1-3-6-7-4-5-8(6)2;3-1(4,5)9-2(6,7)8/h4-5H,3H2,1-2H3;/q;-1/p+1
InChIKeyGYBBPRHFXZHSDQ-UHFFFAOYSA-O
XLogP2.19
TPSA30.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.19
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-ethenyl-2-methyl-N'-(2,2,2-trifluoroethyl)propanimidamide
CID 88590460
N-ethenyl-N'-(2,2,2-trifluoroethyl)ethanimidamide
CID 88979778
2-ethyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate
CID 23023232
1,2-diethyl-1H-imidazol-1-ium tetrafluoroborate
CID 23023246
2-ethyl-1-methyl-1H-imidazol-1-ium bromide
CID 66639976
2-ethyl-1-methyl-1H-imidazol-1-ium chloride
CID 66778723
2-butyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate
CID 140425580
2-ethyl-1-propyl-1H-imidazol-1-ium tetrafluoroborate
CID 140673871
cyanoiminomethylideneazanide;2-ethyl-1-methyl-1H-imidazol-1-ium
CID 145727476
iodanium 2-ethyl-1-methyl-1H-imidazol-1-ium
CID 159329174
2-hexyl-1-methyl-1H-imidazol-1-ium;1,1,2,2-tetrafluoroethene
CID 160607747
1-methyl-2-propyl-1H-imidazol-1-ium tetrafluoroborate
CID 173056373

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethyl)azanide;2-ethyl-1-methyl-1H-imidazol-1-ium?
The IUPAC name of bis(trifluoromethyl)azanide;2-ethyl-1-methyl-1H-imidazol-1-ium (CID 140726615) is bis(trifluoromethyl)azanide;2-ethyl-1-methyl-1H-imidazol-1-ium.
What is the SMILES notation for bis(trifluoromethyl)azanide;2-ethyl-1-methyl-1H-imidazol-1-ium?
The canonical SMILES for bis(trifluoromethyl)azanide;2-ethyl-1-methyl-1H-imidazol-1-ium is CCC1=NC=C[NH+]1C.FC(F)(F)[N-]C(F)(F)F.
What is the InChIKey of bis(trifluoromethyl)azanide;2-ethyl-1-methyl-1H-imidazol-1-ium?
The InChIKey is GYBBPRHFXZHSDQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H10N2.C2F6N/c1-3-6-7-4-5-8(6)2;3-1(4,5)9-2(6,7)8/h4-5H,3H2,1-2H3;/q;-1/p+1.
What are the key properties of bis(trifluoromethyl)azanide;2-ethyl-1-methyl-1H-imidazol-1-ium?
bis(trifluoromethyl)azanide;2-ethyl-1-methyl-1H-imidazol-1-ium has a molecular weight of 263.19 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethyl)azanide;2-ethyl-1-methyl-1H-imidazol-1-ium is sourced from PubChem (CID 140726615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).