1-bromo-4-[4-[4-[4-[4-(4-bromophenyl)-1,1,2,2,3,3,4,4-octafluorobutyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4-octafluorobutyl]benzene

C32H16Br2F16O — CID 22603548

IUPAC1-bromo-4-[4-[4-[4-[4-(4-bromophenyl)-1,1,2,2,3,3,4,4-octafluorobutyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4-octafluorobutyl]benzene
SMILESFC(F)(c1ccc(Br)cc1)C(F)(F)C(F)(F)C(F)(F)c1ccc(Oc2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C32H16Br2F16O/c33-21-9-1-17(2-10-21)25(35,36)29(43,44)31(47,48)27(39,40)19-5-13-23(14-6-19)51-24-15-7-20(8-16-24)28(41,42)32(49,50)30(45,46)26(37,38)18-3-11-22(34)12-4-18/h1-16H
InChIKeyNDLLKKLGAVIXBC-UHFFFAOYSA-N
MW880.25 g/mol
LogP13.31
Rot. Bonds12

About 1-bromo-4-[4-[4-[4-[4-(4-bromophenyl)-1,1,2,2,3,3,4,4-octafluorobutyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4-octafluorobutyl]benzene

1-bromo-4-[4-[4-[4-[4-(4-bromophenyl)-1,1,2,2,3,3,4,4-octafluorobutyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4-octafluorobutyl]benzene (PubChem CID 22603548) has the molecular formula C32H16Br2F16O and a molecular weight of 880.25 g/mol. Its IUPAC name is 1-bromo-4-[4-[4-[4-[4-(4-bromophenyl)-1,1,2,2,3,3,4,4-octafluorobutyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4-octafluorobutyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[4-[4-[4-[4-(4-bromophenyl)-1,1,2,2,3,3,4,4-octafluorobutyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4-octafluorobutyl]benzene
PubChem CID22603548
Molecular FormulaC32H16Br2F16O
Molecular Weight880.25 g/mol
Exact Mass877.93
IUPAC Name1-bromo-4-[4-[4-[4-[4-(4-bromophenyl)-1,1,2,2,3,3,4,4-octafluorobutyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4-octafluorobutyl]benzene
SMILESFC(F)(c1ccc(Br)cc1)C(F)(F)C(F)(F)C(F)(F)c1ccc(Oc2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C32H16Br2F16O/c33-21-9-1-17(2-10-21)25(35,36)29(43,44)31(47,48)27(39,40)19-5-13-23(14-6-19)51-24-15-7-20(8-16-24)28(41,42)32(49,50)30(45,46)26(37,38)18-3-11-22(34)12-4-18/h1-16H
InChIKeyNDLLKKLGAVIXBC-UHFFFAOYSA-N
XLogP13.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.25
LogP ≤ 513.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-bromo-4-[4-[4-[4-[4-(4-bromophenyl)-1,1,2,2,3,3,4,4-octafluorobutyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4-octafluorobutyl]benzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[4-[4-[4-[4-(4-bromophenyl)-1,1,2,2,3,3,4,4-octafluorobutyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4-octafluorobutyl]benzene?
The IUPAC name of 1-bromo-4-[4-[4-[4-[4-(4-bromophenyl)-1,1,2,2,3,3,4,4-octafluorobutyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4-octafluorobutyl]benzene (CID 22603548) is 1-bromo-4-[4-[4-[4-[4-(4-bromophenyl)-1,1,2,2,3,3,4,4-octafluorobutyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4-octafluorobutyl]benzene.
What is the SMILES notation for 1-bromo-4-[4-[4-[4-[4-(4-bromophenyl)-1,1,2,2,3,3,4,4-octafluorobutyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4-octafluorobutyl]benzene?
The canonical SMILES for 1-bromo-4-[4-[4-[4-[4-(4-bromophenyl)-1,1,2,2,3,3,4,4-octafluorobutyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4-octafluorobutyl]benzene is FC(F)(c1ccc(Br)cc1)C(F)(F)C(F)(F)C(F)(F)c1ccc(Oc2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)c3ccc(Br)cc3)cc2)cc1.
What is the InChIKey of 1-bromo-4-[4-[4-[4-[4-(4-bromophenyl)-1,1,2,2,3,3,4,4-octafluorobutyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4-octafluorobutyl]benzene?
The InChIKey is NDLLKKLGAVIXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H16Br2F16O/c33-21-9-1-17(2-10-21)25(35,36)29(43,44)31(47,48)27(39,40)19-5-13-23(14-6-19)51-24-15-7-20(8-16-24)28(41,42)32(49,50)30(45,46)26(37,38)18-3-11-22(34)12-4-18/h1-16H.
What are the key properties of 1-bromo-4-[4-[4-[4-[4-(4-bromophenyl)-1,1,2,2,3,3,4,4-octafluorobutyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4-octafluorobutyl]benzene?
1-bromo-4-[4-[4-[4-[4-(4-bromophenyl)-1,1,2,2,3,3,4,4-octafluorobutyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4-octafluorobutyl]benzene has a molecular weight of 880.25 g/mol, XLogP of 13.31, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[4-[4-[4-[4-(4-bromophenyl)-1,1,2,2,3,3,4,4-octafluorobutyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4-octafluorobutyl]benzene is sourced from PubChem (CID 22603548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).