3-(2-methylbutyl)-1H-imidazol-3-ium hexafluorophosphate

C8H15F6N2P — CID 174876953

IUPAC3-(2-methylbutyl)-1H-imidazol-3-ium hexafluorophosphate
SMILESCCC(C)C[n+]1cc[nH]c1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C8H14N2.F6P/c1-3-8(2)6-10-5-4-9-7-10;1-7(2,3,4,5)6/h4-5,7-8H,3,6H2,1-2H3;/q;-1/p+1
InChIKeyAPPHCMPGGGMNRO-UHFFFAOYSA-O
MW284.18 g/mol
LogP4.73
Rot. Bonds3

About 3-(2-methylbutyl)-1H-imidazol-3-ium hexafluorophosphate

3-(2-methylbutyl)-1H-imidazol-3-ium hexafluorophosphate (PubChem CID 174876953) has the molecular formula C8H15F6N2P and a molecular weight of 284.18 g/mol. Its IUPAC name is 3-(2-methylbutyl)-1H-imidazol-3-ium hexafluorophosphate.

Molecular Properties

Compound Name3-(2-methylbutyl)-1H-imidazol-3-ium hexafluorophosphate
PubChem CID174876953
Molecular FormulaC8H15F6N2P
Molecular Weight284.18 g/mol
Exact Mass284.09
IUPAC Name3-(2-methylbutyl)-1H-imidazol-3-ium hexafluorophosphate
SMILESCCC(C)C[n+]1cc[nH]c1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C8H14N2.F6P/c1-3-8(2)6-10-5-4-9-7-10;1-7(2,3,4,5)6/h4-5,7-8H,3,6H2,1-2H3;/q;-1/p+1
InChIKeyAPPHCMPGGGMNRO-UHFFFAOYSA-O
XLogP4.73
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-imidazol-3-ium-3-yl)butan-2-amine chloride
CID 175075883
3-(4-methylpentyl)-1H-imidazol-3-ium hexafluorophosphate
CID 174873390
bis(3-ethyl-1H-imidazol-3-ium) dibromide
CID 142725589
cobalt(2+);3-ethyl-1H-imidazol-3-ium
CID 175733465
3-(3-methylhexadecyl)-1H-imidazol-3-ium bromide
CID 141318726
1-(1H-imidazol-3-ium-3-yl)icosan-2-ol chloride
CID 175086396
3-undecyl-1H-imidazol-3-ium
CID 69396571
3-decyl-1H-imidazol-3-ium tetrafluoroborate
CID 154630009
3-hexadecyl-1H-imidazol-3-ium bromide
CID 66717877
bis(3-(5-methylheptan-3-yl)-1H-imidazol-3-ium);carbonate
CID 175400751
2-chloro-3-(1H-imidazol-3-ium-3-yl)propanenitrile;hydrochloride
CID 126960635
3-dodecyl-1H-imidazol-3-ium;(2S)-2-hydroxypropanoate
CID 134716361

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbutyl)-1H-imidazol-3-ium hexafluorophosphate?
The IUPAC name of 3-(2-methylbutyl)-1H-imidazol-3-ium hexafluorophosphate (CID 174876953) is 3-(2-methylbutyl)-1H-imidazol-3-ium hexafluorophosphate.
What is the SMILES notation for 3-(2-methylbutyl)-1H-imidazol-3-ium hexafluorophosphate?
The canonical SMILES for 3-(2-methylbutyl)-1H-imidazol-3-ium hexafluorophosphate is CCC(C)C[n+]1cc[nH]c1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 3-(2-methylbutyl)-1H-imidazol-3-ium hexafluorophosphate?
The InChIKey is APPHCMPGGGMNRO-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H14N2.F6P/c1-3-8(2)6-10-5-4-9-7-10;1-7(2,3,4,5)6/h4-5,7-8H,3,6H2,1-2H3;/q;-1/p+1.
What are the key properties of 3-(2-methylbutyl)-1H-imidazol-3-ium hexafluorophosphate?
3-(2-methylbutyl)-1H-imidazol-3-ium hexafluorophosphate has a molecular weight of 284.18 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbutyl)-1H-imidazol-3-ium hexafluorophosphate is sourced from PubChem (CID 174876953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).