1-[3-chloro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,4,5,6-pentafluorobenzene

C18H3ClF10 — CID 118448616

IUPAC1-[3-chloro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(-c2cc(Cl)cc(-c3c(F)c(F)c(F)c(F)c3F)c2)c(F)c1F
InChIInChI=1S/C18H3ClF10/c19-6-2-4(7-9(20)13(24)17(28)14(25)10(7)21)1-5(3-6)8-11(22)15(26)18(29)16(27)12(8)23/h1-3H
InChIKeyLLGDDZHFRMUVTQ-UHFFFAOYSA-N
MW444.66 g/mol
LogP7.07
Rot. Bonds2

About 1-[3-chloro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,4,5,6-pentafluorobenzene

1-[3-chloro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,4,5,6-pentafluorobenzene (PubChem CID 118448616) has the molecular formula C18H3ClF10 and a molecular weight of 444.66 g/mol. Its IUPAC name is 1-[3-chloro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-[3-chloro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,4,5,6-pentafluorobenzene
PubChem CID118448616
Molecular FormulaC18H3ClF10
Molecular Weight444.66 g/mol
Exact Mass443.98
IUPAC Name1-[3-chloro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(-c2cc(Cl)cc(-c3c(F)c(F)c(F)c(F)c3F)c2)c(F)c1F
InChIInChI=1S/C18H3ClF10/c19-6-2-4(7-9(20)13(24)17(28)14(25)10(7)21)1-5(3-6)8-11(22)15(26)18(29)16(27)12(8)23/h1-3H
InChIKeyLLGDDZHFRMUVTQ-UHFFFAOYSA-N
XLogP7.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.66
LogP ≤ 57.07
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-[3-chloro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-[3-chloro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,4,5,6-pentafluorobenzene (CID 118448616) is 1-[3-chloro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-[3-chloro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-[3-chloro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,4,5,6-pentafluorobenzene is Fc1c(F)c(F)c(-c2cc(Cl)cc(-c3c(F)c(F)c(F)c(F)c3F)c2)c(F)c1F.
What is the InChIKey of 1-[3-chloro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,4,5,6-pentafluorobenzene?
The InChIKey is LLGDDZHFRMUVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H3ClF10/c19-6-2-4(7-9(20)13(24)17(28)14(25)10(7)21)1-5(3-6)8-11(22)15(26)18(29)16(27)12(8)23/h1-3H.
What are the key properties of 1-[3-chloro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,4,5,6-pentafluorobenzene?
1-[3-chloro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,4,5,6-pentafluorobenzene has a molecular weight of 444.66 g/mol, XLogP of 7.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 118448616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).