1-chloro-2-[chloro-(2-fluorophenyl)methyl]benzene

C13H9Cl2F — CID 67036775

IUPAC1-chloro-2-[chloro-(2-fluorophenyl)methyl]benzene
SMILESFc1ccccc1C(Cl)c1ccccc1Cl
InChIInChI=1S/C13H9Cl2F/c14-11-7-3-1-5-9(11)13(15)10-6-2-4-8-12(10)16/h1-8,13H
InChIKeyZSHINMOJXSUZGH-UHFFFAOYSA-N
MW255.12 g/mol
LogP4.81
Rot. Bonds2

About 1-chloro-2-[chloro-(2-fluorophenyl)methyl]benzene

1-chloro-2-[chloro-(2-fluorophenyl)methyl]benzene (PubChem CID 67036775) has the molecular formula C13H9Cl2F and a molecular weight of 255.12 g/mol. Its IUPAC name is 1-chloro-2-[chloro-(2-fluorophenyl)methyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[chloro-(2-fluorophenyl)methyl]benzene
PubChem CID67036775
Molecular FormulaC13H9Cl2F
Molecular Weight255.12 g/mol
Exact Mass254.01
IUPAC Name1-chloro-2-[chloro-(2-fluorophenyl)methyl]benzene
SMILESFc1ccccc1C(Cl)c1ccccc1Cl
InChIInChI=1S/C13H9Cl2F/c14-11-7-3-1-5-9(11)13(15)10-6-2-4-8-12(10)16/h1-8,13H
InChIKeyZSHINMOJXSUZGH-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-chloro-2-[chloro-(2-fluorophenyl)methyl]benzene 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-chloro-2-[chloro-(2-fluorophenyl)methyl]benzene?
The IUPAC name of 1-chloro-2-[chloro-(2-fluorophenyl)methyl]benzene (CID 67036775) is 1-chloro-2-[chloro-(2-fluorophenyl)methyl]benzene.
What is the SMILES notation for 1-chloro-2-[chloro-(2-fluorophenyl)methyl]benzene?
The canonical SMILES for 1-chloro-2-[chloro-(2-fluorophenyl)methyl]benzene is Fc1ccccc1C(Cl)c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[chloro-(2-fluorophenyl)methyl]benzene?
The InChIKey is ZSHINMOJXSUZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F/c14-11-7-3-1-5-9(11)13(15)10-6-2-4-8-12(10)16/h1-8,13H.
What are the key properties of 1-chloro-2-[chloro-(2-fluorophenyl)methyl]benzene?
1-chloro-2-[chloro-(2-fluorophenyl)methyl]benzene has a molecular weight of 255.12 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[chloro-(2-fluorophenyl)methyl]benzene is sourced from PubChem (CID 67036775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).