1,2,4-trichloro-5-[2-(chloromethyl)-3-fluorophenyl]benzene

C13H7Cl4F — CID 134619916

IUPAC1,2,4-trichloro-5-[2-(chloromethyl)-3-fluorophenyl]benzene
SMILESFc1cccc(-c2cc(Cl)c(Cl)cc2Cl)c1CCl
InChIInChI=1S/C13H7Cl4F/c14-6-9-7(2-1-3-13(9)18)8-4-11(16)12(17)5-10(8)15/h1-5H,6H2
InChIKeyZMIMLCQTSVJWBN-UHFFFAOYSA-N
MW324.01 g/mol
LogP6.19
Rot. Bonds2

About 1,2,4-trichloro-5-[2-(chloromethyl)-3-fluorophenyl]benzene

1,2,4-trichloro-5-[2-(chloromethyl)-3-fluorophenyl]benzene (PubChem CID 134619916) has the molecular formula C13H7Cl4F and a molecular weight of 324.01 g/mol. Its IUPAC name is 1,2,4-trichloro-5-[2-(chloromethyl)-3-fluorophenyl]benzene.

Molecular Properties

Compound Name1,2,4-trichloro-5-[2-(chloromethyl)-3-fluorophenyl]benzene
PubChem CID134619916
Molecular FormulaC13H7Cl4F
Molecular Weight324.01 g/mol
Exact Mass321.93
IUPAC Name1,2,4-trichloro-5-[2-(chloromethyl)-3-fluorophenyl]benzene
SMILESFc1cccc(-c2cc(Cl)c(Cl)cc2Cl)c1CCl
InChIInChI=1S/C13H7Cl4F/c14-6-9-7(2-1-3-13(9)18)8-4-11(16)12(17)5-10(8)15/h1-5H,6H2
InChIKeyZMIMLCQTSVJWBN-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

1,2,4-trichloro-5-[5-(chloromethyl)-2-fluorophenyl]benzene
CID 134629936
2-[2-(2,4-dichlorophenyl)-6-fluorophenyl]acetonitrile
CID 118818713
[2-(3,4-dichlorophenyl)-6-fluorophenyl]methanol
CID 118813063
2-fluoro-3-(2,4,5-trichlorophenyl)pyridine
CID 133088815
2,5-dichloro-4-(2-fluorophenyl)phenol
CID 107663319
2-(bromomethyl)-1-(2,6-dichlorophenyl)-3-fluorobenzene
CID 134619388
1,2,4-trichloro-5-(2-fluoro-3-nitrophenyl)benzene
CID 134620271
1,3,5-trichloro-2-[3-chloro-2-(chloromethyl)phenyl]benzene
CID 134617206
CID 167462330
CID 167462330
2-(2,5-dichloro-4-ethoxyphenyl)-6-fluoroaniline
CID 107602971
1-(2,5-dichlorophenyl)-5-fluoronaphthalene
CID 118818793
2-(chloromethyl)-3-fluorobenzenesulfonyl chloride
CID 83271541

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trichloro-5-[2-(chloromethyl)-3-fluorophenyl]benzene?
The IUPAC name of 1,2,4-trichloro-5-[2-(chloromethyl)-3-fluorophenyl]benzene (CID 134619916) is 1,2,4-trichloro-5-[2-(chloromethyl)-3-fluorophenyl]benzene.
What is the SMILES notation for 1,2,4-trichloro-5-[2-(chloromethyl)-3-fluorophenyl]benzene?
The canonical SMILES for 1,2,4-trichloro-5-[2-(chloromethyl)-3-fluorophenyl]benzene is Fc1cccc(-c2cc(Cl)c(Cl)cc2Cl)c1CCl.
What is the InChIKey of 1,2,4-trichloro-5-[2-(chloromethyl)-3-fluorophenyl]benzene?
The InChIKey is ZMIMLCQTSVJWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl4F/c14-6-9-7(2-1-3-13(9)18)8-4-11(16)12(17)5-10(8)15/h1-5H,6H2.
What are the key properties of 1,2,4-trichloro-5-[2-(chloromethyl)-3-fluorophenyl]benzene?
1,2,4-trichloro-5-[2-(chloromethyl)-3-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-[2-(chloromethyl)-3-fluorophenyl]benzene is sourced from PubChem (CID 134619916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).