1,2,4-trifluoro-5-(2,4,5-trifluorophenyl)benzene

C12H4F6 — CID 58769561

IUPAC1,2,4-trifluoro-5-(2,4,5-trifluorophenyl)benzene
SMILESFc1cc(F)c(-c2cc(F)c(F)cc2F)cc1F
InChIInChI=1S/C12H4F6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H
InChIKeyIKYRNKAAEFJNFE-UHFFFAOYSA-N
MW262.15 g/mol
LogP4.19
Rot. Bonds1

About 1,2,4-trifluoro-5-(2,4,5-trifluorophenyl)benzene

1,2,4-trifluoro-5-(2,4,5-trifluorophenyl)benzene (PubChem CID 58769561) has the molecular formula C12H4F6 and a molecular weight of 262.15 g/mol. Its IUPAC name is 1,2,4-trifluoro-5-(2,4,5-trifluorophenyl)benzene.

Molecular Properties

Compound Name1,2,4-trifluoro-5-(2,4,5-trifluorophenyl)benzene
PubChem CID58769561
Molecular FormulaC12H4F6
Molecular Weight262.15 g/mol
Exact Mass262.02
IUPAC Name1,2,4-trifluoro-5-(2,4,5-trifluorophenyl)benzene
SMILESFc1cc(F)c(-c2cc(F)c(F)cc2F)cc1F
InChIInChI=1S/C12H4F6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H
InChIKeyIKYRNKAAEFJNFE-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 54.19
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-5-(2,4,5-trifluorophenyl)benzene?
The IUPAC name of 1,2,4-trifluoro-5-(2,4,5-trifluorophenyl)benzene (CID 58769561) is 1,2,4-trifluoro-5-(2,4,5-trifluorophenyl)benzene.
What is the SMILES notation for 1,2,4-trifluoro-5-(2,4,5-trifluorophenyl)benzene?
The canonical SMILES for 1,2,4-trifluoro-5-(2,4,5-trifluorophenyl)benzene is Fc1cc(F)c(-c2cc(F)c(F)cc2F)cc1F.
What is the InChIKey of 1,2,4-trifluoro-5-(2,4,5-trifluorophenyl)benzene?
The InChIKey is IKYRNKAAEFJNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4F6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H.
What are the key properties of 1,2,4-trifluoro-5-(2,4,5-trifluorophenyl)benzene?
1,2,4-trifluoro-5-(2,4,5-trifluorophenyl)benzene has a molecular weight of 262.15 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trifluoro-5-(2,4,5-trifluorophenyl)benzene is sourced from PubChem (CID 58769561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).