1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene

C13H7F5 — CID 46314099

IUPAC1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene
SMILESCc1c(F)c(F)c(-c2ccccc2F)c(F)c1F
InChIInChI=1S/C13H7F5/c1-6-10(15)12(17)9(13(18)11(6)16)7-4-2-3-5-8(7)14/h2-5H,1H3
InChIKeyYOLAJGLHPQJXOC-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.36
Rot. Bonds1

About 1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene

1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene (PubChem CID 46314099) has the molecular formula C13H7F5 and a molecular weight of 258.19 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene
PubChem CID46314099
Molecular FormulaC13H7F5
Molecular Weight258.19 g/mol
Exact Mass258.05
IUPAC Name1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene
SMILESCc1c(F)c(F)c(-c2ccccc2F)c(F)c1F
InChIInChI=1S/C13H7F5/c1-6-10(15)12(17)9(13(18)11(6)16)7-4-2-3-5-8(7)14/h2-5H,1H3
InChIKeyYOLAJGLHPQJXOC-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene (CID 46314099) is 1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene is Cc1c(F)c(F)c(-c2ccccc2F)c(F)c1F.
What is the InChIKey of 1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene?
The InChIKey is YOLAJGLHPQJXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F5/c1-6-10(15)12(17)9(13(18)11(6)16)7-4-2-3-5-8(7)14/h2-5H,1H3.
What are the key properties of 1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene?
1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene has a molecular weight of 258.19 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene is sourced from PubChem (CID 46314099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).