2-hexyl-3-pentan-2-yl-1H-imidazol-3-ium hexafluorophosphate

C14H27F6N2P — CID 175851643

IUPAC2-hexyl-3-pentan-2-yl-1H-imidazol-3-ium hexafluorophosphate
SMILESCCCCCCc1[nH]cc[n+]1C(C)CCC.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C14H26N2.F6P/c1-4-6-7-8-10-14-15-11-12-16(14)13(3)9-5-2;1-7(2,3,4,5)6/h11-13H,4-10H2,1-3H3;/q;-1/p+1
InChIKeyVSPBMVMANMOSDM-UHFFFAOYSA-O
MW368.35 g/mol
LogP7.17
Rot. Bonds8

About 2-hexyl-3-pentan-2-yl-1H-imidazol-3-ium hexafluorophosphate

2-hexyl-3-pentan-2-yl-1H-imidazol-3-ium hexafluorophosphate (PubChem CID 175851643) has the molecular formula C14H27F6N2P and a molecular weight of 368.35 g/mol. Its IUPAC name is 2-hexyl-3-pentan-2-yl-1H-imidazol-3-ium hexafluorophosphate.

Molecular Properties

Compound Name2-hexyl-3-pentan-2-yl-1H-imidazol-3-ium hexafluorophosphate
PubChem CID175851643
Molecular FormulaC14H27F6N2P
Molecular Weight368.35 g/mol
Exact Mass368.18
IUPAC Name2-hexyl-3-pentan-2-yl-1H-imidazol-3-ium hexafluorophosphate
SMILESCCCCCCc1[nH]cc[n+]1C(C)CCC.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C14H26N2.F6P/c1-4-6-7-8-10-14-15-11-12-16(14)13(3)9-5-2;1-7(2,3,4,5)6/h11-13H,4-10H2,1-3H3;/q;-1/p+1
InChIKeyVSPBMVMANMOSDM-UHFFFAOYSA-O
XLogP7.17
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.35
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(8-methylnonyl)-3-octadecan-2-yl-1H-imidazol-3-ium
CID 68898976
2-(13-methyltetradecyl)-3-tetradecan-2-yl-1H-imidazol-3-ium
CID 69386786
2-pentacosan-9-yl-3-pentan-2-yl-1H-imidazol-3-ium
CID 69408231
2-heptacosan-11-yl-3-pentan-2-yl-1H-imidazol-3-ium
CID 90748200
3-methyl-2-octyl-1H-imidazol-3-ium hexafluorophosphate
CID 157262025
3-pentan-2-yl-2-tricosan-5-yl-1H-imidazol-3-ium
CID 69405198
2-hexadecan-3-yl-3-pentan-2-yl-1H-imidazol-3-ium
CID 91471968
2-(9-methyldecyl)-3-propan-2-yl-1H-imidazol-3-ium
CID 69391884
3-octadecan-2-yl-2-undecan-4-yl-1H-imidazol-3-ium
CID 91053515
3-hexadecan-2-yl-2-icosan-4-yl-1H-imidazol-3-ium
CID 90854114
2-henicosan-4-yl-3-pentadecan-2-yl-1H-imidazol-3-ium
CID 91092852
2-decan-4-yl-3-heptadecan-2-yl-1H-imidazol-3-ium
CID 69408838

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-3-pentan-2-yl-1H-imidazol-3-ium hexafluorophosphate?
The IUPAC name of 2-hexyl-3-pentan-2-yl-1H-imidazol-3-ium hexafluorophosphate (CID 175851643) is 2-hexyl-3-pentan-2-yl-1H-imidazol-3-ium hexafluorophosphate.
What is the SMILES notation for 2-hexyl-3-pentan-2-yl-1H-imidazol-3-ium hexafluorophosphate?
The canonical SMILES for 2-hexyl-3-pentan-2-yl-1H-imidazol-3-ium hexafluorophosphate is CCCCCCc1[nH]cc[n+]1C(C)CCC.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 2-hexyl-3-pentan-2-yl-1H-imidazol-3-ium hexafluorophosphate?
The InChIKey is VSPBMVMANMOSDM-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H26N2.F6P/c1-4-6-7-8-10-14-15-11-12-16(14)13(3)9-5-2;1-7(2,3,4,5)6/h11-13H,4-10H2,1-3H3;/q;-1/p+1.
What are the key properties of 2-hexyl-3-pentan-2-yl-1H-imidazol-3-ium hexafluorophosphate?
2-hexyl-3-pentan-2-yl-1H-imidazol-3-ium hexafluorophosphate has a molecular weight of 368.35 g/mol, XLogP of 7.17, 8 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-3-pentan-2-yl-1H-imidazol-3-ium hexafluorophosphate is sourced from PubChem (CID 175851643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).