1-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)imidazol-3-ium

C7H3F10N2+ — CID 87098440

IUPAC1-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)imidazol-3-ium
SMILESFC(F)(F)[n+]1ccn(C(F)(F)C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C7H3F10N2/c8-4(9,5(10,11)12)6(13,14)18-1-2-19(3-18)7(15,16)17/h1-3H/q+1
InChIKeyWELSIXXUFJSWDK-UHFFFAOYSA-N
MW305.10 g/mol
LogP3.00
Rot. Bonds2

About 1-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)imidazol-3-ium

1-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)imidazol-3-ium (PubChem CID 87098440) has the molecular formula C7H3F10N2+ and a molecular weight of 305.10 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)imidazol-3-ium.

Molecular Properties

Compound Name1-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)imidazol-3-ium
PubChem CID87098440
Molecular FormulaC7H3F10N2+
Molecular Weight305.10 g/mol
Exact Mass305.01
IUPAC Name1-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)imidazol-3-ium
SMILESFC(F)(F)[n+]1ccn(C(F)(F)C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C7H3F10N2/c8-4(9,5(10,11)12)6(13,14)18-1-2-19(3-18)7(15,16)17/h1-3H/q+1
InChIKeyWELSIXXUFJSWDK-UHFFFAOYSA-N
XLogP3.00
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.10
LogP ≤ 53.00
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

1,3-bis(1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexan-2-yl)imidazol-1-ium iodide
CID 141370471
1-benzyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-tritriacontafluorohexadecyl)imidazol-1-ium
CID 87213334
1-ethyl-3-(1,1,2,2,2-pentafluoroethyl)imidazol-1-ium
CID 87098448
1-(1,1,2,2,3,3,3-heptafluoropropyl)imidazole
CID 87105356
1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole
CID 11728733
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole
CID 91373212
1,3-bis(2-methylbutan-2-yl)imidazol-1-ium bromide
CID 167431274
1-(2,2,3,3,4,4,4-heptafluorobutyl)-3-methylimidazol-3-ium
CID 102032954
1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-1-ium
CID 20802170
1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrolidine
CID 54109001
1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-(trifluoromethyl)-2H-imidazole
CID 174637669

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)imidazol-3-ium?
The IUPAC name of 1-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)imidazol-3-ium (CID 87098440) is 1-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)imidazol-3-ium.
What is the SMILES notation for 1-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)imidazol-3-ium?
The canonical SMILES for 1-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)imidazol-3-ium is FC(F)(F)[n+]1ccn(C(F)(F)C(F)(F)C(F)(F)F)c1.
What is the InChIKey of 1-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)imidazol-3-ium?
The InChIKey is WELSIXXUFJSWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F10N2/c8-4(9,5(10,11)12)6(13,14)18-1-2-19(3-18)7(15,16)17/h1-3H/q+1.
What are the key properties of 1-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)imidazol-3-ium?
1-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)imidazol-3-ium has a molecular weight of 305.10 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)imidazol-3-ium is sourced from PubChem (CID 87098440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).