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

C18H3F11 — CID 175418212

IUPAC1,2,3,4,5-pentafluoro-6-[2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
SMILESFc1cccc(-c2c(F)c(F)c(F)c(F)c2F)c1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C18H3F11/c19-5-3-1-2-4(7-9(20)13(24)17(28)14(25)10(7)21)6(5)8-11(22)15(26)18(29)16(27)12(8)23/h1-3H
InChIKeyLWBQEPKSBQNZCF-UHFFFAOYSA-N
MW428.20 g/mol
LogP6.55
Rot. Bonds2

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

1,2,3,4,5-pentafluoro-6-[2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene (PubChem CID 175418212) has the molecular formula C18H3F11 and a molecular weight of 428.20 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-[2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-[2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
PubChem CID175418212
Molecular FormulaC18H3F11
Molecular Weight428.20 g/mol
Exact Mass428.01
IUPAC Name1,2,3,4,5-pentafluoro-6-[2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
SMILESFc1cccc(-c2c(F)c(F)c(F)c(F)c2F)c1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C18H3F11/c19-5-3-1-2-4(7-9(20)13(24)17(28)14(25)10(7)21)6(5)8-11(22)15(26)18(29)16(27)12(8)23/h1-3H
InChIKeyLWBQEPKSBQNZCF-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.20
LogP ≤ 56.55
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-fluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-[2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene (CID 175418212) is 1,2,3,4,5-pentafluoro-6-[2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-[2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-[2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene is Fc1cccc(-c2c(F)c(F)c(F)c(F)c2F)c1-c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-[2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene?
The InChIKey is LWBQEPKSBQNZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H3F11/c19-5-3-1-2-4(7-9(20)13(24)17(28)14(25)10(7)21)6(5)8-11(22)15(26)18(29)16(27)12(8)23/h1-3H.
What are the key properties of 1,2,3,4,5-pentafluoro-6-[2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene?
1,2,3,4,5-pentafluoro-6-[2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene has a molecular weight of 428.20 g/mol, XLogP of 6.55, 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-fluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene is sourced from PubChem (CID 175418212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).