hexafluoroantimony(1-);1-iodo-2-(4-octoxyphenyl)benzene

C20H25F6IOSb- — CID 175076692

IUPAChexafluoroantimony(1-);1-iodo-2-(4-octoxyphenyl)benzene
SMILESCCCCCCCCOc1ccc(-c2ccccc2I)cc1.F[Sb-](F)(F)(F)(F)F
InChIInChI=1S/C20H25IO.6FH.Sb/c1-2-3-4-5-6-9-16-22-18-14-12-17(13-15-18)19-10-7-8-11-20(19)21;;;;;;;/h7-8,10-15H,2-6,9,16H2,1H3;6*1H;/q;;;;;;;+5/p-6
InChIKeyVNLCMBMMFBBUAG-UHFFFAOYSA-H
MW644.07 g/mol
LogP8.84
Rot. Bonds9

About hexafluoroantimony(1-);1-iodo-2-(4-octoxyphenyl)benzene

hexafluoroantimony(1-);1-iodo-2-(4-octoxyphenyl)benzene (PubChem CID 175076692) has the molecular formula C20H25F6IOSb- and a molecular weight of 644.07 g/mol. Its IUPAC name is hexafluoroantimony(1-);1-iodo-2-(4-octoxyphenyl)benzene.

Molecular Properties

Compound Namehexafluoroantimony(1-);1-iodo-2-(4-octoxyphenyl)benzene
PubChem CID175076692
Molecular FormulaC20H25F6IOSb-
Molecular Weight644.07 g/mol
Exact Mass642.99
IUPAC Namehexafluoroantimony(1-);1-iodo-2-(4-octoxyphenyl)benzene
SMILESCCCCCCCCOc1ccc(-c2ccccc2I)cc1.F[Sb-](F)(F)(F)(F)F
InChIInChI=1S/C20H25IO.6FH.Sb/c1-2-3-4-5-6-9-16-22-18-14-12-17(13-15-18)19-10-7-8-11-20(19)21;;;;;;;/h7-8,10-15H,2-6,9,16H2,1H3;6*1H;/q;;;;;;;+5/p-6
InChIKeyVNLCMBMMFBBUAG-UHFFFAOYSA-H
XLogP8.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.07
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(2-iodophenyl)phenoxy]propyl-trimethylsilane
CID 22116672
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
1-pentoxy-4-phenylbenzene
CID 7021155
1-ethenyl-2-(4-tetradecoxyphenyl)benzene
CID 102407772
1-iodo-2-(4-octylphenyl)benzene
CID 87323299
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
4-[2-(4-octoxyphenyl)phenyl]benzoic acid
CID 131719004
2-(4-decoxyphenyl)benzoic acid
CID 19898368
1-(1-heptoxyethyl)-4-[2-(4-pentadecoxyphenyl)phenyl]benzene
CID 139694170

Frequently Asked Questions

What is the IUPAC name of hexafluoroantimony(1-);1-iodo-2-(4-octoxyphenyl)benzene?
The IUPAC name of hexafluoroantimony(1-);1-iodo-2-(4-octoxyphenyl)benzene (CID 175076692) is hexafluoroantimony(1-);1-iodo-2-(4-octoxyphenyl)benzene.
What is the SMILES notation for hexafluoroantimony(1-);1-iodo-2-(4-octoxyphenyl)benzene?
The canonical SMILES for hexafluoroantimony(1-);1-iodo-2-(4-octoxyphenyl)benzene is CCCCCCCCOc1ccc(-c2ccccc2I)cc1.F[Sb-](F)(F)(F)(F)F.
What is the InChIKey of hexafluoroantimony(1-);1-iodo-2-(4-octoxyphenyl)benzene?
The InChIKey is VNLCMBMMFBBUAG-UHFFFAOYSA-H. The full InChI is InChI=1S/C20H25IO.6FH.Sb/c1-2-3-4-5-6-9-16-22-18-14-12-17(13-15-18)19-10-7-8-11-20(19)21;;;;;;;/h7-8,10-15H,2-6,9,16H2,1H3;6*1H;/q;;;;;;;+5/p-6.
What are the key properties of hexafluoroantimony(1-);1-iodo-2-(4-octoxyphenyl)benzene?
hexafluoroantimony(1-);1-iodo-2-(4-octoxyphenyl)benzene has a molecular weight of 644.07 g/mol, XLogP of 8.84, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexafluoroantimony(1-);1-iodo-2-(4-octoxyphenyl)benzene is sourced from PubChem (CID 175076692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).