1-(1,2,2,3,3,3-hexafluoropropyl)-3-methylimidazol-3-ium

C7H7F6N2+ — CID 89077328

IUPAC1-(1,2,2,3,3,3-hexafluoropropyl)-3-methylimidazol-3-ium
SMILESC[n+]1ccn(C(F)C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C7H7F6N2/c1-14-2-3-15(4-14)5(8)6(9,10)7(11,12)13/h2-5H,1H3/q+1
InChIKeyRGDBZJJCSZFMAI-UHFFFAOYSA-N
MW233.14 g/mol
LogP1.98
Rot. Bonds2

About 1-(1,2,2,3,3,3-hexafluoropropyl)-3-methylimidazol-3-ium

1-(1,2,2,3,3,3-hexafluoropropyl)-3-methylimidazol-3-ium (PubChem CID 89077328) has the molecular formula C7H7F6N2+ and a molecular weight of 233.14 g/mol. Its IUPAC name is 1-(1,2,2,3,3,3-hexafluoropropyl)-3-methylimidazol-3-ium.

Molecular Properties

Compound Name1-(1,2,2,3,3,3-hexafluoropropyl)-3-methylimidazol-3-ium
PubChem CID89077328
Molecular FormulaC7H7F6N2+
Molecular Weight233.14 g/mol
Exact Mass233.05
IUPAC Name1-(1,2,2,3,3,3-hexafluoropropyl)-3-methylimidazol-3-ium
SMILESC[n+]1ccn(C(F)C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C7H7F6N2/c1-14-2-3-15(4-14)5(8)6(9,10)7(11,12)13/h2-5H,1H3/q+1
InChIKeyRGDBZJJCSZFMAI-UHFFFAOYSA-N
XLogP1.98
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-methylimidazol-3-ium;1-methyl-3-(1,2,2,2-tetrafluoroethyl)imidazol-1-ium;dibromide
CID 172762379
1-methyl-3-(1,1,2,2-tetrafluoroethyl)imidazol-1-ium
CID 87105358
1-(3-methylimidazol-3-ium-1-yl)ethanol hexafluorophosphate
CID 159548891
1-methyl-3-(1,2,2,2-tetrachloroethyl)imidazol-1-ium
CID 161028117
1-butan-2-yl-3-methylimidazol-3-ium;trifluoromethanesulfonate
CID 158849714
1-(2-fluoro-1-methoxyethyl)-3-methylimidazol-3-ium
CID 150459177
2-(3-methylimidazol-3-ium-1-yl)propanenitrile
CID 62705906
dicyano-fluoro-(1,1,2,2,2-pentafluoroethyl)boranuide;1-(1-methoxyethyl)-3-methylimidazol-3-ium
CID 89251147
N,N-dimethyl-1-(3-methylimidazol-3-ium-1-yl)propan-1-amine bromide
CID 87121443
1-(2,2,3,3,4,4,4-heptafluorobutyl)-3-methylimidazol-3-ium
CID 102032954
1-heptan-2-yl-3-methylimidazol-3-ium tetrafluoroborate
CID 174423729
1-methyl-3-(3-methylimidazol-3-ium-1-yl)imidazol-1-ium
CID 102495920

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2,3,3,3-hexafluoropropyl)-3-methylimidazol-3-ium?
The IUPAC name of 1-(1,2,2,3,3,3-hexafluoropropyl)-3-methylimidazol-3-ium (CID 89077328) is 1-(1,2,2,3,3,3-hexafluoropropyl)-3-methylimidazol-3-ium.
What is the SMILES notation for 1-(1,2,2,3,3,3-hexafluoropropyl)-3-methylimidazol-3-ium?
The canonical SMILES for 1-(1,2,2,3,3,3-hexafluoropropyl)-3-methylimidazol-3-ium is C[n+]1ccn(C(F)C(F)(F)C(F)(F)F)c1.
What is the InChIKey of 1-(1,2,2,3,3,3-hexafluoropropyl)-3-methylimidazol-3-ium?
The InChIKey is RGDBZJJCSZFMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F6N2/c1-14-2-3-15(4-14)5(8)6(9,10)7(11,12)13/h2-5H,1H3/q+1.
What are the key properties of 1-(1,2,2,3,3,3-hexafluoropropyl)-3-methylimidazol-3-ium?
1-(1,2,2,3,3,3-hexafluoropropyl)-3-methylimidazol-3-ium has a molecular weight of 233.14 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2,3,3,3-hexafluoropropyl)-3-methylimidazol-3-ium is sourced from PubChem (CID 89077328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).