1,2,4-trifluoro-3-[2-(2,3,5-trifluorophenyl)phenyl]benzene

C18H8F6 — CID 161120611

IUPAC1,2,4-trifluoro-3-[2-(2,3,5-trifluorophenyl)phenyl]benzene
SMILESFc1cc(F)c(F)c(-c2ccccc2-c2c(F)ccc(F)c2F)c1
InChIInChI=1S/C18H8F6/c19-9-7-12(17(23)15(22)8-9)10-3-1-2-4-11(10)16-13(20)5-6-14(21)18(16)24/h1-8H
InChIKeyUKXBEJHIFCUWPD-UHFFFAOYSA-N
MW338.25 g/mol
LogP5.86
Rot. Bonds2

About 1,2,4-trifluoro-3-[2-(2,3,5-trifluorophenyl)phenyl]benzene

1,2,4-trifluoro-3-[2-(2,3,5-trifluorophenyl)phenyl]benzene (PubChem CID 161120611) has the molecular formula C18H8F6 and a molecular weight of 338.25 g/mol. Its IUPAC name is 1,2,4-trifluoro-3-[2-(2,3,5-trifluorophenyl)phenyl]benzene.

Molecular Properties

Compound Name1,2,4-trifluoro-3-[2-(2,3,5-trifluorophenyl)phenyl]benzene
PubChem CID161120611
Molecular FormulaC18H8F6
Molecular Weight338.25 g/mol
Exact Mass338.05
IUPAC Name1,2,4-trifluoro-3-[2-(2,3,5-trifluorophenyl)phenyl]benzene
SMILESFc1cc(F)c(F)c(-c2ccccc2-c2c(F)ccc(F)c2F)c1
InChIInChI=1S/C18H8F6/c19-9-7-12(17(23)15(22)8-9)10-3-1-2-4-11(10)16-13(20)5-6-14(21)18(16)24/h1-8H
InChIKeyUKXBEJHIFCUWPD-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.25
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-trifluoro-3-[2-(2,3,5-trifluorophenyl)phenyl]benzene?
The IUPAC name of 1,2,4-trifluoro-3-[2-(2,3,5-trifluorophenyl)phenyl]benzene (CID 161120611) is 1,2,4-trifluoro-3-[2-(2,3,5-trifluorophenyl)phenyl]benzene.
What is the SMILES notation for 1,2,4-trifluoro-3-[2-(2,3,5-trifluorophenyl)phenyl]benzene?
The canonical SMILES for 1,2,4-trifluoro-3-[2-(2,3,5-trifluorophenyl)phenyl]benzene is Fc1cc(F)c(F)c(-c2ccccc2-c2c(F)ccc(F)c2F)c1.
What is the InChIKey of 1,2,4-trifluoro-3-[2-(2,3,5-trifluorophenyl)phenyl]benzene?
The InChIKey is UKXBEJHIFCUWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8F6/c19-9-7-12(17(23)15(22)8-9)10-3-1-2-4-11(10)16-13(20)5-6-14(21)18(16)24/h1-8H.
What are the key properties of 1,2,4-trifluoro-3-[2-(2,3,5-trifluorophenyl)phenyl]benzene?
1,2,4-trifluoro-3-[2-(2,3,5-trifluorophenyl)phenyl]benzene has a molecular weight of 338.25 g/mol, XLogP of 5.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trifluoro-3-[2-(2,3,5-trifluorophenyl)phenyl]benzene is sourced from PubChem (CID 161120611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).