2-hexyl-1-methyl-1H-imidazol-1-ium;1,1,2,2-tetrafluoroethene

C12H19F4N2+ — CID 160607747

IUPAC2-hexyl-1-methyl-1H-imidazol-1-ium;1,1,2,2-tetrafluoroethene
SMILESCCCCCCC1=NC=C[NH+]1C.FC(F)=C(F)F
InChIInChI=1S/C10H18N2.C2F4/c1-3-4-5-6-7-10-11-8-9-12(10)2;3-1(4)2(5)6/h8-9H,3-7H2,1-2H3;/p+1
InChIKeyRFCIRSAPUBHBBJ-UHFFFAOYSA-O
MW267.29 g/mol
LogP3.35
Rot. Bonds5

About 2-hexyl-1-methyl-1H-imidazol-1-ium;1,1,2,2-tetrafluoroethene

2-hexyl-1-methyl-1H-imidazol-1-ium;1,1,2,2-tetrafluoroethene (PubChem CID 160607747) has the molecular formula C12H19F4N2+ and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-hexyl-1-methyl-1H-imidazol-1-ium;1,1,2,2-tetrafluoroethene.

Molecular Properties

Compound Name2-hexyl-1-methyl-1H-imidazol-1-ium;1,1,2,2-tetrafluoroethene
PubChem CID160607747
Molecular FormulaC12H19F4N2+
Molecular Weight267.29 g/mol
Exact Mass267.15
IUPAC Name2-hexyl-1-methyl-1H-imidazol-1-ium;1,1,2,2-tetrafluoroethene
SMILESCCCCCCC1=NC=C[NH+]1C.FC(F)=C(F)F
InChIInChI=1S/C10H18N2.C2F4/c1-3-4-5-6-7-10-11-8-9-12(10)2;3-1(4)2(5)6/h8-9H,3-7H2,1-2H3;/p+1
InChIKeyRFCIRSAPUBHBBJ-UHFFFAOYSA-O
XLogP3.35
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(trifluoromethyl)azanide;2-ethyl-1-methyl-1H-imidazol-1-ium
CID 140726615
1-methyl-2-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)-1H-imidazol-1-ium
CID 152749711
1-methyl-2-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)-1H-imidazol-1-ium;hexafluorophosphate
CID 157749659
2-hexyl-1-methyl-1H-imidazol-1-ium iodide
CID 66652284
2-hexyl-1-methyl-1H-imidazol-1-ium bromide
CID 68779090
2-decyl-1-methyl-1H-imidazol-1-ium bromide
CID 68784001
1-hexyl-2-methyl-1H-imidazol-1-ium tetrafluoroborate
CID 89895498
2-methyl-1-octyl-1H-imidazol-1-ium tetrafluoroborate
CID 89895703
1-methyl-2-octyl-1H-imidazol-1-ium iodide
CID 117642599
2-butyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate
CID 140425580
1-methyl-2-octyl-1H-imidazol-1-ium tetrafluoroborate
CID 140475081
2-hexyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate
CID 140502403

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-1-methyl-1H-imidazol-1-ium;1,1,2,2-tetrafluoroethene?
The IUPAC name of 2-hexyl-1-methyl-1H-imidazol-1-ium;1,1,2,2-tetrafluoroethene (CID 160607747) is 2-hexyl-1-methyl-1H-imidazol-1-ium;1,1,2,2-tetrafluoroethene.
What is the SMILES notation for 2-hexyl-1-methyl-1H-imidazol-1-ium;1,1,2,2-tetrafluoroethene?
The canonical SMILES for 2-hexyl-1-methyl-1H-imidazol-1-ium;1,1,2,2-tetrafluoroethene is CCCCCCC1=NC=C[NH+]1C.FC(F)=C(F)F.
What is the InChIKey of 2-hexyl-1-methyl-1H-imidazol-1-ium;1,1,2,2-tetrafluoroethene?
The InChIKey is RFCIRSAPUBHBBJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H18N2.C2F4/c1-3-4-5-6-7-10-11-8-9-12(10)2;3-1(4)2(5)6/h8-9H,3-7H2,1-2H3;/p+1.
What are the key properties of 2-hexyl-1-methyl-1H-imidazol-1-ium;1,1,2,2-tetrafluoroethene?
2-hexyl-1-methyl-1H-imidazol-1-ium;1,1,2,2-tetrafluoroethene has a molecular weight of 267.29 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-1-methyl-1H-imidazol-1-ium;1,1,2,2-tetrafluoroethene is sourced from PubChem (CID 160607747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).