1-methyl-3-phenylimidazol-1-ium;pentafluoro-λ5-phosphane;fluoride

C10H11F6N2P — CID 158860552

IUPAC1-methyl-3-phenylimidazol-1-ium;pentafluoro-λ5-phosphane;fluoride
SMILESC[n+]1ccn(-c2ccccc2)c1.FP(F)(F)(F)F.[F-]
InChIInChI=1S/C10H11N2.F5P.FH/c1-11-7-8-12(9-11)10-5-3-2-4-6-10;1-6(2,3,4)5;/h2-9H,1H3;;1H/q+1;;/p-1
InChIKeyJAPFWTHPBVCKGF-UHFFFAOYSA-M
MW304.17 g/mol
LogP1.27
Rot. Bonds1

About 1-methyl-3-phenylimidazol-1-ium;pentafluoro-λ5-phosphane;fluoride

1-methyl-3-phenylimidazol-1-ium;pentafluoro-λ5-phosphane;fluoride (PubChem CID 158860552) has the molecular formula C10H11F6N2P and a molecular weight of 304.17 g/mol. Its IUPAC name is 1-methyl-3-phenylimidazol-1-ium;pentafluoro-λ5-phosphane;fluoride.

Molecular Properties

Compound Name1-methyl-3-phenylimidazol-1-ium;pentafluoro-λ5-phosphane;fluoride
PubChem CID158860552
Molecular FormulaC10H11F6N2P
Molecular Weight304.17 g/mol
Exact Mass304.06
IUPAC Name1-methyl-3-phenylimidazol-1-ium;pentafluoro-λ5-phosphane;fluoride
SMILESC[n+]1ccn(-c2ccccc2)c1.FP(F)(F)(F)F.[F-]
InChIInChI=1S/C10H11N2.F5P.FH/c1-11-7-8-12(9-11)10-5-3-2-4-6-10;1-6(2,3,4)5;/h2-9H,1H3;;1H/q+1;;/p-1
InChIKeyJAPFWTHPBVCKGF-UHFFFAOYSA-M
XLogP1.27
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(1-methyl-3-phenylimidazol-1-ium) diisocyanate
CID 140576354
1-methyl-3-(4-methylphenyl)imidazol-1-ium iodide
CID 88851206
1-methyl-3-[4-[tris[4-(3-methylimidazol-3-ium-1-yl)phenyl]methyl]phenyl]imidazol-1-ium
CID 102053425
chloromethane;ethane;[4-(3-methylimidazol-3-ium-1-yl)phenyl]methanamine
CID 145067976
N-[4-(3-methylimidazol-3-ium-1-yl)phenyl]acetamide
CID 155819488
2-(3-methylimidazol-3-ium-1-yl)-6-phenylpyridine
CID 58130249
1-phenyl-3-[3,3,4,4-tetrafluoro-2-(3-phenylimidazol-1-ium-1-yl)cyclobuten-1-yl]imidazol-3-ium ditetrafluoroborate
CID 10077042
1-(3-methoxyphenyl)-3-methylimidazol-3-ium;trifluoromethanesulfonate
CID 11163544
1-phenyl-3-[4-(3-phenylimidazol-1-ium-1-yl)but-2-ynyl]imidazol-3-ium
CID 101486119
1-(4-methoxyphenyl)-3-phenylimidazol-1-ium tetrafluoroborate
CID 71724285
1,3,6,8-tetramethyl-9-[4-(3-methylimidazol-3-ium-1-yl)phenyl]carbazole
CID 122234360
1-(4-bromophenyl)-3-phenylimidazol-1-ium tetrafluoroborate
CID 71724435

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenylimidazol-1-ium;pentafluoro-λ5-phosphane;fluoride?
The IUPAC name of 1-methyl-3-phenylimidazol-1-ium;pentafluoro-λ5-phosphane;fluoride (CID 158860552) is 1-methyl-3-phenylimidazol-1-ium;pentafluoro-λ5-phosphane;fluoride.
What is the SMILES notation for 1-methyl-3-phenylimidazol-1-ium;pentafluoro-λ5-phosphane;fluoride?
The canonical SMILES for 1-methyl-3-phenylimidazol-1-ium;pentafluoro-λ5-phosphane;fluoride is C[n+]1ccn(-c2ccccc2)c1.FP(F)(F)(F)F.[F-].
What is the InChIKey of 1-methyl-3-phenylimidazol-1-ium;pentafluoro-λ5-phosphane;fluoride?
The InChIKey is JAPFWTHPBVCKGF-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11N2.F5P.FH/c1-11-7-8-12(9-11)10-5-3-2-4-6-10;1-6(2,3,4)5;/h2-9H,1H3;;1H/q+1;;/p-1.
What are the key properties of 1-methyl-3-phenylimidazol-1-ium;pentafluoro-λ5-phosphane;fluoride?
1-methyl-3-phenylimidazol-1-ium;pentafluoro-λ5-phosphane;fluoride has a molecular weight of 304.17 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenylimidazol-1-ium;pentafluoro-λ5-phosphane;fluoride is sourced from PubChem (CID 158860552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).