dihexyl-bis(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)phosphanium iodide

C26H34F22IP — CID 146503666

IUPACdihexyl-bis(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)phosphanium iodide
SMILESCCCCCC[P+](CCCCCC)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[I-]
InChIInChI=1S/C26H34F22P.HI/c1-3-5-7-9-13-49(14-10-8-6-4-2,15-11-17(27,28)19(31,32)21(35,36)23(39,40)25(43,44)45)16-12-18(29,30)20(33,34)22(37,38)24(41,42)26(46,47)48;/h3-16H2,1-2H3;1H/q+1;/p-1
InChIKeySQOCYUILLQIYGG-UHFFFAOYSA-M
MW922.39 g/mol
LogP10.16
Rot. Bonds22

About dihexyl-bis(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)phosphanium iodide

dihexyl-bis(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)phosphanium iodide (PubChem CID 146503666) has the molecular formula C26H34F22IP and a molecular weight of 922.39 g/mol. Its IUPAC name is dihexyl-bis(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)phosphanium iodide.

Molecular Properties

Compound Namedihexyl-bis(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)phosphanium iodide
PubChem CID146503666
Molecular FormulaC26H34F22IP
Molecular Weight922.39 g/mol
Exact Mass922.11
IUPAC Namedihexyl-bis(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)phosphanium iodide
SMILESCCCCCC[P+](CCCCCC)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[I-]
InChIInChI=1S/C26H34F22P.HI/c1-3-5-7-9-13-49(14-10-8-6-4-2,15-11-17(27,28)19(31,32)21(35,36)23(39,40)25(43,44)45)16-12-18(29,30)20(33,34)22(37,38)24(41,42)26(46,47)48;/h3-16H2,1-2H3;1H/q+1;/p-1
InChIKeySQOCYUILLQIYGG-UHFFFAOYSA-M
XLogP10.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.39
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

butyl-tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphanium
CID 101408345
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorotridecane
CID 15266676
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoroicosane
CID 22404665
1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane
CID 98452289
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorooctacosane
CID 99647814
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodotriacontane
CID 138394291
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorotetradecane
CID 22002799
tris(3-hydroxypropyl)-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphanium
CID 132572424
1,1,1,2,2,3,3,4,4-nonafluorooctane
CID 22002951
9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane
CID 89419205
1,1,1,2,2,3,3,4,4,5-decafluorododecan-5-ylphosphane
CID 22348772
triheptyl(pentyl)phosphanium iodide
CID 87777949

Frequently Asked Questions

What is the IUPAC name of dihexyl-bis(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)phosphanium iodide?
The IUPAC name of dihexyl-bis(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)phosphanium iodide (CID 146503666) is dihexyl-bis(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)phosphanium iodide.
What is the SMILES notation for dihexyl-bis(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)phosphanium iodide?
The canonical SMILES for dihexyl-bis(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)phosphanium iodide is CCCCCC[P+](CCCCCC)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[I-].
What is the InChIKey of dihexyl-bis(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)phosphanium iodide?
The InChIKey is SQOCYUILLQIYGG-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H34F22P.HI/c1-3-5-7-9-13-49(14-10-8-6-4-2,15-11-17(27,28)19(31,32)21(35,36)23(39,40)25(43,44)45)16-12-18(29,30)20(33,34)22(37,38)24(41,42)26(46,47)48;/h3-16H2,1-2H3;1H/q+1;/p-1.
What are the key properties of dihexyl-bis(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)phosphanium iodide?
dihexyl-bis(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)phosphanium iodide has a molecular weight of 922.39 g/mol, XLogP of 10.16, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dihexyl-bis(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)phosphanium iodide is sourced from PubChem (CID 146503666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).