1-methylimidazole;phosphoric acid;hexahydrofluoride

C4H15F6N2O4P — CID 158112836

IUPAC1-methylimidazole;phosphoric acid;hexahydrofluoride
SMILESCn1ccnc1.F.F.F.F.F.F.O=P(O)(O)O
InChIInChI=1S/C4H6N2.6FH.H3O4P/c1-6-3-2-5-4-6;;;;;;;1-5(2,3)4/h2-4H,1H3;6*1H;(H3,1,2,3,4)
InChIKeySLNCFWANFXLOGL-UHFFFAOYSA-N
MW300.14 g/mol
LogP0.41
Rot. Bonds

About 1-methylimidazole;phosphoric acid;hexahydrofluoride

1-methylimidazole;phosphoric acid;hexahydrofluoride (PubChem CID 158112836) has the molecular formula C4H15F6N2O4P and a molecular weight of 300.14 g/mol. Its IUPAC name is 1-methylimidazole;phosphoric acid;hexahydrofluoride.

Molecular Properties

Compound Name1-methylimidazole;phosphoric acid;hexahydrofluoride
PubChem CID158112836
Molecular FormulaC4H15F6N2O4P
Molecular Weight300.14 g/mol
Exact Mass300.07
IUPAC Name1-methylimidazole;phosphoric acid;hexahydrofluoride
SMILESCn1ccnc1.F.F.F.F.F.F.O=P(O)(O)O
InChIInChI=1S/C4H6N2.6FH.H3O4P/c1-6-3-2-5-4-6;;;;;;;1-5(2,3)4/h2-4H,1H3;6*1H;(H3,1,2,3,4)
InChIKeySLNCFWANFXLOGL-UHFFFAOYSA-N
XLogP0.41
TPSA95.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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ethene;1-methylimidazole
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tetrakis(1-methylimidazole);platinum(2+);diperchlorate
CID 139054952
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CID 144994303
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butan-2-one;1-methylimidazole
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butanedioic acid;1-methylimidazole
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Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole;phosphoric acid;hexahydrofluoride?
The IUPAC name of 1-methylimidazole;phosphoric acid;hexahydrofluoride (CID 158112836) is 1-methylimidazole;phosphoric acid;hexahydrofluoride.
What is the SMILES notation for 1-methylimidazole;phosphoric acid;hexahydrofluoride?
The canonical SMILES for 1-methylimidazole;phosphoric acid;hexahydrofluoride is Cn1ccnc1.F.F.F.F.F.F.O=P(O)(O)O.
What is the InChIKey of 1-methylimidazole;phosphoric acid;hexahydrofluoride?
The InChIKey is SLNCFWANFXLOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.6FH.H3O4P/c1-6-3-2-5-4-6;;;;;;;1-5(2,3)4/h2-4H,1H3;6*1H;(H3,1,2,3,4).
What are the key properties of 1-methylimidazole;phosphoric acid;hexahydrofluoride?
1-methylimidazole;phosphoric acid;hexahydrofluoride has a molecular weight of 300.14 g/mol, XLogP of 0.41, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazole;phosphoric acid;hexahydrofluoride is sourced from PubChem (CID 158112836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).