1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene

C18F14 — CID 22497144

IUPAC1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
SMILESFc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C18F14/c19-5-1(3-7(21)13(27)17(31)14(28)8(3)22)2(6(20)12(26)11(5)25)4-9(23)15(29)18(32)16(30)10(4)24
InChIKeyVQEZJTIPLFPILL-UHFFFAOYSA-N
MW482.17 g/mol
LogP6.97
Rot. Bonds2

About 1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene

1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene (PubChem CID 22497144) has the molecular formula C18F14 and a molecular weight of 482.17 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
PubChem CID22497144
Molecular FormulaC18F14
Molecular Weight482.17 g/mol
Exact Mass481.98
IUPAC Name1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
SMILESFc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C18F14/c19-5-1(3-7(21)13(27)17(31)14(28)8(3)22)2(6(20)12(26)11(5)25)4-9(23)15(29)18(32)16(30)10(4)24
InChIKeyVQEZJTIPLFPILL-UHFFFAOYSA-N
XLogP6.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.17
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene (CID 22497144) is 1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene is Fc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene?
The InChIKey is VQEZJTIPLFPILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18F14/c19-5-1(3-7(21)13(27)17(31)14(28)8(3)22)2(6(20)12(26)11(5)25)4-9(23)15(29)18(32)16(30)10(4)24.
What are the key properties of 1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene?
1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene has a molecular weight of 482.17 g/mol, XLogP of 6.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene is sourced from PubChem (CID 22497144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).