hydron;2-(1-methylimidazol-2-yl)acetic acid;hexafluorophosphate

C6H9F6N2O2P — CID 174920085

IUPAChydron;2-(1-methylimidazol-2-yl)acetic acid;hexafluorophosphate
SMILESCn1ccnc1CC(=O)O.F[P-](F)(F)(F)(F)F.[H+]
InChIInChI=1S/C6H8N2O2.F6P/c1-8-3-2-7-5(8)4-6(9)10;1-7(2,3,4,5)6/h2-3H,4H2,1H3,(H,9,10);/q;-1/p+1
InChIKeyJODIPHZZZBSXMB-UHFFFAOYSA-O
MW286.11 g/mol
LogP3.54
Rot. Bonds2

About hydron;2-(1-methylimidazol-2-yl)acetic acid;hexafluorophosphate

hydron;2-(1-methylimidazol-2-yl)acetic acid;hexafluorophosphate (PubChem CID 174920085) has the molecular formula C6H9F6N2O2P and a molecular weight of 286.11 g/mol. Its IUPAC name is hydron;2-(1-methylimidazol-2-yl)acetic acid;hexafluorophosphate.

Molecular Properties

Compound Namehydron;2-(1-methylimidazol-2-yl)acetic acid;hexafluorophosphate
PubChem CID174920085
Molecular FormulaC6H9F6N2O2P
Molecular Weight286.11 g/mol
Exact Mass286.03
IUPAC Namehydron;2-(1-methylimidazol-2-yl)acetic acid;hexafluorophosphate
SMILESCn1ccnc1CC(=O)O.F[P-](F)(F)(F)(F)F.[H+]
InChIInChI=1S/C6H8N2O2.F6P/c1-8-3-2-7-5(8)4-6(9)10;1-7(2,3,4,5)6/h2-3H,4H2,1H3,(H,9,10);/q;-1/p+1
InChIKeyJODIPHZZZBSXMB-UHFFFAOYSA-O
XLogP3.54
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.11
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide
CID 175058190
3-amino-1-(1-methylimidazol-2-yl)butan-2-one
CID 116551768
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
10-(1-methylimidazol-2-yl)decanoic acid
CID 69479217
3,3-dimethyl-4-(1-methylimidazol-2-yl)butanoic acid
CID 81003658
4-(2-methoxyethoxy)-1-(1-methylimidazol-2-yl)butan-2-one
CID 102927313
3-amino-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-one
CID 116549035
1-tert-butylsulfanyl-3-(1-methylimidazol-2-yl)propan-2-one
CID 79743927
1-(1-methylimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one
CID 79743827
1-(1-methylimidazol-2-yl)heptan-2-one
CID 115580314
2-(fluoromethyl)-1-methylimidazole
CID 11679811
1-anilino-3-(1-methylimidazol-2-yl)propan-2-one
CID 116555402

Frequently Asked Questions

What is the IUPAC name of hydron;2-(1-methylimidazol-2-yl)acetic acid;hexafluorophosphate?
The IUPAC name of hydron;2-(1-methylimidazol-2-yl)acetic acid;hexafluorophosphate (CID 174920085) is hydron;2-(1-methylimidazol-2-yl)acetic acid;hexafluorophosphate.
What is the SMILES notation for hydron;2-(1-methylimidazol-2-yl)acetic acid;hexafluorophosphate?
The canonical SMILES for hydron;2-(1-methylimidazol-2-yl)acetic acid;hexafluorophosphate is Cn1ccnc1CC(=O)O.F[P-](F)(F)(F)(F)F.[H+].
What is the InChIKey of hydron;2-(1-methylimidazol-2-yl)acetic acid;hexafluorophosphate?
The InChIKey is JODIPHZZZBSXMB-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H8N2O2.F6P/c1-8-3-2-7-5(8)4-6(9)10;1-7(2,3,4,5)6/h2-3H,4H2,1H3,(H,9,10);/q;-1/p+1.
What are the key properties of hydron;2-(1-methylimidazol-2-yl)acetic acid;hexafluorophosphate?
hydron;2-(1-methylimidazol-2-yl)acetic acid;hexafluorophosphate has a molecular weight of 286.11 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2-(1-methylimidazol-2-yl)acetic acid;hexafluorophosphate is sourced from PubChem (CID 174920085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).