1-decyl-3-methylimidazol-3-ium hexafluorophosphate

C14H27F6N2P — CID 10044526

IUPAC1-decyl-3-methylimidazol-3-ium hexafluorophosphate
SMILESCCCCCCCCCCn1cc[n+](C)c1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C14H27N2.F6P/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;1-7(2,3,4,5)6/h12-14H,3-11H2,1-2H3;/q+1;-1
InChIKeyOXZSRXCEZNETER-UHFFFAOYSA-N
MW368.35 g/mol
LogP6.84
Rot. Bonds9

About 1-decyl-3-methylimidazol-3-ium hexafluorophosphate

1-decyl-3-methylimidazol-3-ium hexafluorophosphate (PubChem CID 10044526) has the molecular formula C14H27F6N2P and a molecular weight of 368.35 g/mol. Its IUPAC name is 1-decyl-3-methylimidazol-3-ium hexafluorophosphate.

Molecular Properties

Compound Name1-decyl-3-methylimidazol-3-ium hexafluorophosphate
PubChem CID10044526
Molecular FormulaC14H27F6N2P
Molecular Weight368.35 g/mol
Exact Mass368.18
IUPAC Name1-decyl-3-methylimidazol-3-ium hexafluorophosphate
SMILESCCCCCCCCCCn1cc[n+](C)c1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C14H27N2.F6P/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;1-7(2,3,4,5)6/h12-14H,3-11H2,1-2H3;/q+1;-1
InChIKeyOXZSRXCEZNETER-UHFFFAOYSA-N
XLogP6.84
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.35
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

Analyze 1-decyl-3-methylimidazol-3-ium hexafluorophosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Butylimidazole
CID 61347
1-Hexadecyl-3-methylimidazolium Chloride
CID 2734231
1-Decyl-3-methylimidazolium Bromide
CID 22078297
1-Methyl-3-octylimidazolium hexafluorophosphate
CID 2734243
1-Octyl-3-methylimidazolium chloride
CID 2734223
1-Pentyl-1H-imidazole
CID 529334
1-Butyl-3-methylimidazolium chloride
CID 2734161
1,3-Didecyl-2-methyl-1H-imidazolium chloride
CID 2775940
1-Dodecylimidazole
CID 78002
1-Dodecyl-3-methyl-1H-imidazol-3-ium Chloride
CID 2734227
1-Methyl-3-octylimidazolium tetrafluoroborate
CID 11460221
1-Methyl-3-octadecylimidazolium hexafluorophosphate
CID 24944555

Frequently Asked Questions

What is the IUPAC name of 1-decyl-3-methylimidazol-3-ium hexafluorophosphate?
The IUPAC name of 1-decyl-3-methylimidazol-3-ium hexafluorophosphate (CID 10044526) is 1-decyl-3-methylimidazol-3-ium hexafluorophosphate.
What is the SMILES notation for 1-decyl-3-methylimidazol-3-ium hexafluorophosphate?
The canonical SMILES for 1-decyl-3-methylimidazol-3-ium hexafluorophosphate is CCCCCCCCCCn1cc[n+](C)c1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 1-decyl-3-methylimidazol-3-ium hexafluorophosphate?
The InChIKey is OXZSRXCEZNETER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N2.F6P/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;1-7(2,3,4,5)6/h12-14H,3-11H2,1-2H3;/q+1;-1.
What are the key properties of 1-decyl-3-methylimidazol-3-ium hexafluorophosphate?
1-decyl-3-methylimidazol-3-ium hexafluorophosphate has a molecular weight of 368.35 g/mol, XLogP of 6.84, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-3-methylimidazol-3-ium hexafluorophosphate is sourced from PubChem (CID 10044526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).