1-bromo-4-[5-[4-[4-[5-(4-bromophenyl)-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]benzene

C34H16Br2F20O — CID 22603566

IUPAC1-bromo-4-[5-[4-[4-[5-(4-bromophenyl)-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]benzene
SMILESFC(F)(c1ccc(Br)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(Oc2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C34H16Br2F20O/c35-21-9-1-17(2-10-21)25(37,38)29(45,46)33(53,54)31(49,50)27(41,42)19-5-13-23(14-6-19)57-24-15-7-20(8-16-24)28(43,44)32(51,52)34(55,56)30(47,48)26(39,40)18-3-11-22(36)12-4-18/h1-16H
InChIKeyMPIJVHPUFWTQGW-UHFFFAOYSA-N
MW980.27 g/mol
LogP14.58
Rot. Bonds14

About 1-bromo-4-[5-[4-[4-[5-(4-bromophenyl)-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]benzene

1-bromo-4-[5-[4-[4-[5-(4-bromophenyl)-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]benzene (PubChem CID 22603566) has the molecular formula C34H16Br2F20O and a molecular weight of 980.27 g/mol. Its IUPAC name is 1-bromo-4-[5-[4-[4-[5-(4-bromophenyl)-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[5-[4-[4-[5-(4-bromophenyl)-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]benzene
PubChem CID22603566
Molecular FormulaC34H16Br2F20O
Molecular Weight980.27 g/mol
Exact Mass977.92
IUPAC Name1-bromo-4-[5-[4-[4-[5-(4-bromophenyl)-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]benzene
SMILESFC(F)(c1ccc(Br)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(Oc2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C34H16Br2F20O/c35-21-9-1-17(2-10-21)25(37,38)29(45,46)33(53,54)31(49,50)27(41,42)19-5-13-23(14-6-19)57-24-15-7-20(8-16-24)28(43,44)32(51,52)34(55,56)30(47,48)26(39,40)18-3-11-22(36)12-4-18/h1-16H
InChIKeyMPIJVHPUFWTQGW-UHFFFAOYSA-N
XLogP14.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500980.27
LogP ≤ 514.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-bromo-4-[5-[4-[4-[5-(4-bromophenyl)-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[5-[4-[4-[5-(4-bromophenyl)-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]benzene?
The IUPAC name of 1-bromo-4-[5-[4-[4-[5-(4-bromophenyl)-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]benzene (CID 22603566) is 1-bromo-4-[5-[4-[4-[5-(4-bromophenyl)-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]benzene.
What is the SMILES notation for 1-bromo-4-[5-[4-[4-[5-(4-bromophenyl)-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]benzene?
The canonical SMILES for 1-bromo-4-[5-[4-[4-[5-(4-bromophenyl)-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]benzene is FC(F)(c1ccc(Br)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(Oc2ccc(C(F)(F)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-[5-[4-[4-[5-(4-bromophenyl)-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]benzene?
The InChIKey is MPIJVHPUFWTQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H16Br2F20O/c35-21-9-1-17(2-10-21)25(37,38)29(45,46)33(53,54)31(49,50)27(41,42)19-5-13-23(14-6-19)57-24-15-7-20(8-16-24)28(43,44)32(51,52)34(55,56)30(47,48)26(39,40)18-3-11-22(36)12-4-18/h1-16H.
What are the key properties of 1-bromo-4-[5-[4-[4-[5-(4-bromophenyl)-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]benzene?
1-bromo-4-[5-[4-[4-[5-(4-bromophenyl)-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]benzene has a molecular weight of 980.27 g/mol, XLogP of 14.58, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[5-[4-[4-[5-(4-bromophenyl)-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]phenoxy]phenyl]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]benzene is sourced from PubChem (CID 22603566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).