1,2,4-trichloro-5-[5-(chloromethyl)-2-fluorophenyl]benzene

C13H7Cl4F — CID 134629936

IUPAC1,2,4-trichloro-5-[5-(chloromethyl)-2-fluorophenyl]benzene
SMILESFc1ccc(CCl)cc1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H7Cl4F/c14-6-7-1-2-13(18)9(3-7)8-4-11(16)12(17)5-10(8)15/h1-5H,6H2
InChIKeyVIYGAOUIVKWYPG-UHFFFAOYSA-N
MW324.01 g/mol
LogP6.19
Rot. Bonds2

About 1,2,4-trichloro-5-[5-(chloromethyl)-2-fluorophenyl]benzene

1,2,4-trichloro-5-[5-(chloromethyl)-2-fluorophenyl]benzene (PubChem CID 134629936) has the molecular formula C13H7Cl4F and a molecular weight of 324.01 g/mol. Its IUPAC name is 1,2,4-trichloro-5-[5-(chloromethyl)-2-fluorophenyl]benzene.

Molecular Properties

Compound Name1,2,4-trichloro-5-[5-(chloromethyl)-2-fluorophenyl]benzene
PubChem CID134629936
Molecular FormulaC13H7Cl4F
Molecular Weight324.01 g/mol
Exact Mass321.93
IUPAC Name1,2,4-trichloro-5-[5-(chloromethyl)-2-fluorophenyl]benzene
SMILESFc1ccc(CCl)cc1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H7Cl4F/c14-6-7-1-2-13(18)9(3-7)8-4-11(16)12(17)5-10(8)15/h1-5H,6H2
InChIKeyVIYGAOUIVKWYPG-UHFFFAOYSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.01
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(chloromethyl)-2-fluorophenyl]-2,4-dimethylbenzene
CID 82119039
4-(chloromethyl)-1-fluoro-2-[2-(trifluoromethyl)phenyl]benzene
CID 94297138
4-(chloromethyl)-2-(4-ethylphenyl)-1-fluorobenzene
CID 82119035
[3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine
CID 61271772
2,4-bis(chloromethyl)-1-fluorobenzene
CID 165357761
2-chloro-4-(chloromethyl)-1-[4-(trifluoromethyl)phenyl]benzene
CID 134619724
4-(bromomethyl)-2-(3,4-dichlorophenyl)-1-fluorobenzene
CID 134629445
N-[[3-(2,4-dichlorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 63428074
N-[[3-(2-chloro-4,5-dimethylphenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 115484355
[3-(2,3-dichlorophenyl)-4-fluorophenyl]methanamine
CID 54912158
1-[5-(bromomethyl)-2-fluorophenyl]-2,3-dichlorobenzene
CID 134629417
1-chloro-4-(chloromethyl)-2-(2-methylphenyl)benzene
CID 82119405

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trichloro-5-[5-(chloromethyl)-2-fluorophenyl]benzene?
The IUPAC name of 1,2,4-trichloro-5-[5-(chloromethyl)-2-fluorophenyl]benzene (CID 134629936) is 1,2,4-trichloro-5-[5-(chloromethyl)-2-fluorophenyl]benzene.
What is the SMILES notation for 1,2,4-trichloro-5-[5-(chloromethyl)-2-fluorophenyl]benzene?
The canonical SMILES for 1,2,4-trichloro-5-[5-(chloromethyl)-2-fluorophenyl]benzene is Fc1ccc(CCl)cc1-c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 1,2,4-trichloro-5-[5-(chloromethyl)-2-fluorophenyl]benzene?
The InChIKey is VIYGAOUIVKWYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl4F/c14-6-7-1-2-13(18)9(3-7)8-4-11(16)12(17)5-10(8)15/h1-5H,6H2.
What are the key properties of 1,2,4-trichloro-5-[5-(chloromethyl)-2-fluorophenyl]benzene?
1,2,4-trichloro-5-[5-(chloromethyl)-2-fluorophenyl]benzene has a molecular weight of 324.01 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trichloro-5-[5-(chloromethyl)-2-fluorophenyl]benzene is sourced from PubChem (CID 134629936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).