1-butyl-3-methyl-2H-imidazole;phosphane;hexahydrofluoride

C8H25F6N2P — CID 173166047

IUPAC1-butyl-3-methyl-2H-imidazole;phosphane;hexahydrofluoride
SMILESCCCCN1C=CN(C)C1.F.F.F.F.F.F.P
InChIInChI=1S/C8H16N2.6FH.H3P/c1-3-4-5-10-7-6-9(2)8-10;;;;;;;/h6-7H,3-5,8H2,1-2H3;6*1H;1H3
InChIKeyAQDRYGWFGBSYES-UHFFFAOYSA-N
MW294.26 g/mol
LogP2.44
Rot. Bonds3

About 1-butyl-3-methyl-2H-imidazole;phosphane;hexahydrofluoride

1-butyl-3-methyl-2H-imidazole;phosphane;hexahydrofluoride (PubChem CID 173166047) has the molecular formula C8H25F6N2P and a molecular weight of 294.26 g/mol. Its IUPAC name is 1-butyl-3-methyl-2H-imidazole;phosphane;hexahydrofluoride.

Molecular Properties

Compound Name1-butyl-3-methyl-2H-imidazole;phosphane;hexahydrofluoride
PubChem CID173166047
Molecular FormulaC8H25F6N2P
Molecular Weight294.26 g/mol
Exact Mass294.17
IUPAC Name1-butyl-3-methyl-2H-imidazole;phosphane;hexahydrofluoride
SMILESCCCCN1C=CN(C)C1.F.F.F.F.F.F.P
InChIInChI=1S/C8H16N2.6FH.H3P/c1-3-4-5-10-7-6-9(2)8-10;;;;;;;/h6-7H,3-5,8H2,1-2H3;6*1H;1H3
InChIKeyAQDRYGWFGBSYES-UHFFFAOYSA-N
XLogP2.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-methyl-2H-imidazole
CID 10265934
1-butyl-3-methyl-2H-imidazole;molybdenum
CID 174105929
tripotassium;1-butyl-3-methyl-2H-imidazole;hydride
CID 174886963
aluminum;1-butyl-3-methyl-2H-imidazole;trichloride;hydrochloride
CID 172848443
1-butyl-3-methyl-2H-imidazole;phosphorous acid
CID 174659773
1-decyl-3-methyl-2H-imidazole;hydrofluoride
CID 174870192
CID 174105864
CID 174105864
zinc;1-butyl-3-methyl-2H-imidazole;ditetrafluoroborate
CID 175542670
1-hexyl-3-methyl-2H-imidazole
CID 18513318
1-methyl-3-nonadecyl-2H-imidazole
CID 69396698
1-butyl-3-methyl-2H-imidazole;hydron;hexafluorophosphate
CID 174451662
1-methyl-3-octadecyl-2H-imidazole;hydrochloride
CID 173017387

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-2H-imidazole;phosphane;hexahydrofluoride?
The IUPAC name of 1-butyl-3-methyl-2H-imidazole;phosphane;hexahydrofluoride (CID 173166047) is 1-butyl-3-methyl-2H-imidazole;phosphane;hexahydrofluoride.
What is the SMILES notation for 1-butyl-3-methyl-2H-imidazole;phosphane;hexahydrofluoride?
The canonical SMILES for 1-butyl-3-methyl-2H-imidazole;phosphane;hexahydrofluoride is CCCCN1C=CN(C)C1.F.F.F.F.F.F.P.
What is the InChIKey of 1-butyl-3-methyl-2H-imidazole;phosphane;hexahydrofluoride?
The InChIKey is AQDRYGWFGBSYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.6FH.H3P/c1-3-4-5-10-7-6-9(2)8-10;;;;;;;/h6-7H,3-5,8H2,1-2H3;6*1H;1H3.
What are the key properties of 1-butyl-3-methyl-2H-imidazole;phosphane;hexahydrofluoride?
1-butyl-3-methyl-2H-imidazole;phosphane;hexahydrofluoride has a molecular weight of 294.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-2H-imidazole;phosphane;hexahydrofluoride is sourced from PubChem (CID 173166047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).