fluoro-[(E)-2-fluoro-10-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)dec-1-enyl]-(4-methylphenyl)-λ3-iodane

C24H37F2IO2 — CID 11092589

IUPACfluoro-[(E)-2-fluoro-10-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)dec-1-enyl]-(4-methylphenyl)-λ3-iodane
SMILESCc1ccc(I(F)/C=C(/F)CCCCCCCCC2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C24H37F2IO2/c1-19-14-16-21(17-15-19)27(26)18-20(25)12-10-8-6-7-9-11-13-22-28-23(2,3)24(4,5)29-22/h14-18,22H,6-13H2,1-5H3/b20-18+
InChIKeyYWESVYKHGOZYIR-CZIZESTLSA-N
MW522.46 g/mol
LogP8.42
Rot. Bonds11

About fluoro-[(E)-2-fluoro-10-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)dec-1-enyl]-(4-methylphenyl)-λ3-iodane

fluoro-[(E)-2-fluoro-10-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)dec-1-enyl]-(4-methylphenyl)-λ3-iodane (PubChem CID 11092589) has the molecular formula C24H37F2IO2 and a molecular weight of 522.46 g/mol. Its IUPAC name is fluoro-[(E)-2-fluoro-10-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)dec-1-enyl]-(4-methylphenyl)-λ3-iodane.

Molecular Properties

Compound Namefluoro-[(E)-2-fluoro-10-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)dec-1-enyl]-(4-methylphenyl)-λ3-iodane
PubChem CID11092589
Molecular FormulaC24H37F2IO2
Molecular Weight522.46 g/mol
Exact Mass522.18
IUPAC Namefluoro-[(E)-2-fluoro-10-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)dec-1-enyl]-(4-methylphenyl)-λ3-iodane
SMILESCc1ccc(I(F)/C=C(/F)CCCCCCCCC2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C24H37F2IO2/c1-19-14-16-21(17-15-19)27(26)18-20(25)12-10-8-6-7-9-11-13-22-28-23(2,3)24(4,5)29-22/h14-18,22H,6-13H2,1-5H3/b20-18+
InChIKeyYWESVYKHGOZYIR-CZIZESTLSA-N
XLogP8.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.46
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phenylacetaldehyde 2,3-butylene glycol acetal
CID 230525
2-Phenethyldioxolane
CID 64811
2-Methyl-2-phenethyl-1,3-dioxolane
CID 11830267
4-Methyl-2-(2-phenylpropyl)-1,3-dioxolane
CID 2828528
5-Butoxy-3-[(3,4-difluorophenyl)methyl]-2,2-dimethyloxolane
CID 102508598
3-[1-[2-(4,4,5,5,5-Pentafluoropentoxy)ethoxy]ethoxy]propylbenzene
CID 164669871
2-(4-Phenylbutyl)-1,3-dioxolane
CID 9837159
2-(3-Phenylpropyl)-1,3-dioxolane
CID 10198030
2-(3-Phenylbut-3-enyl)-1,3-dioxolane
CID 17753713
Cyclamen aldehyde propyleneglycol acetal
CID 52847
2-[2-[2-[2-(4-Fluorophenyl)ethyl]oxiran-2-yl]propan-2-yl]-1,3-dioxolane
CID 14391717
8-(3-Fluoro-4-iodophenyl)-1,4-dioxaspiro[4.5]decane
CID 18787924

Frequently Asked Questions

What is the IUPAC name of fluoro-[(E)-2-fluoro-10-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)dec-1-enyl]-(4-methylphenyl)-λ3-iodane?
The IUPAC name of fluoro-[(E)-2-fluoro-10-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)dec-1-enyl]-(4-methylphenyl)-λ3-iodane (CID 11092589) is fluoro-[(E)-2-fluoro-10-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)dec-1-enyl]-(4-methylphenyl)-λ3-iodane.
What is the SMILES notation for fluoro-[(E)-2-fluoro-10-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)dec-1-enyl]-(4-methylphenyl)-λ3-iodane?
The canonical SMILES for fluoro-[(E)-2-fluoro-10-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)dec-1-enyl]-(4-methylphenyl)-λ3-iodane is Cc1ccc(I(F)/C=C(/F)CCCCCCCCC2OC(C)(C)C(C)(C)O2)cc1.
What is the InChIKey of fluoro-[(E)-2-fluoro-10-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)dec-1-enyl]-(4-methylphenyl)-λ3-iodane?
The InChIKey is YWESVYKHGOZYIR-CZIZESTLSA-N. The full InChI is InChI=1S/C24H37F2IO2/c1-19-14-16-21(17-15-19)27(26)18-20(25)12-10-8-6-7-9-11-13-22-28-23(2,3)24(4,5)29-22/h14-18,22H,6-13H2,1-5H3/b20-18+.
What are the key properties of fluoro-[(E)-2-fluoro-10-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)dec-1-enyl]-(4-methylphenyl)-λ3-iodane?
fluoro-[(E)-2-fluoro-10-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)dec-1-enyl]-(4-methylphenyl)-λ3-iodane has a molecular weight of 522.46 g/mol, XLogP of 8.42, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-[(E)-2-fluoro-10-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)dec-1-enyl]-(4-methylphenyl)-λ3-iodane is sourced from PubChem (CID 11092589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).