2,4-dichloro-1-[2-(chloromethyl)-4-(trifluoromethyl)phenyl]benzene

C14H8Cl3F3 — CID 134619859

IUPAC2,4-dichloro-1-[2-(chloromethyl)-4-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccc(-c2ccc(Cl)cc2Cl)c(CCl)c1
InChIInChI=1S/C14H8Cl3F3/c15-7-8-5-9(14(18,19)20)1-3-11(8)12-4-2-10(16)6-13(12)17/h1-6H,7H2
InChIKeyVNLQZKUKKAEXKF-UHFFFAOYSA-N
MW339.57 g/mol
LogP6.42
Rot. Bonds2

About 2,4-dichloro-1-[2-(chloromethyl)-4-(trifluoromethyl)phenyl]benzene

2,4-dichloro-1-[2-(chloromethyl)-4-(trifluoromethyl)phenyl]benzene (PubChem CID 134619859) has the molecular formula C14H8Cl3F3 and a molecular weight of 339.57 g/mol. Its IUPAC name is 2,4-dichloro-1-[2-(chloromethyl)-4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[2-(chloromethyl)-4-(trifluoromethyl)phenyl]benzene
PubChem CID134619859
Molecular FormulaC14H8Cl3F3
Molecular Weight339.57 g/mol
Exact Mass337.96
IUPAC Name2,4-dichloro-1-[2-(chloromethyl)-4-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccc(-c2ccc(Cl)cc2Cl)c(CCl)c1
InChIInChI=1S/C14H8Cl3F3/c15-7-8-5-9(14(18,19)20)1-3-11(8)12-4-2-10(16)6-13(12)17/h1-6H,7H2
InChIKeyVNLQZKUKKAEXKF-UHFFFAOYSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.57
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-4-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 134627746
2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 54501466
2-(chloromethyl)-1-(4-fluorophenyl)-4-(trifluoromethyl)benzene
CID 46313326
4-chloro-2-(chloromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 118816855
1-[2-(bromomethyl)-4-(trifluoromethyl)phenyl]-2,3,5-trichlorobenzene
CID 134617182
[5-chloro-2-(2,4-dichlorophenyl)phenyl]methanamine
CID 66159336
1,4-dichloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]benzene
CID 134618163
2-chloro-4-(chloromethyl)-1-[4-(trifluoromethyl)phenyl]benzene
CID 134619724
2-(bromomethyl)-4-chloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 134619443
N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiohydroxylamine
CID 148766758
2,4-dichloro-1-[3-fluoro-2-(trifluoromethyl)phenyl]benzene
CID 119002759
2,4-dichloro-1-[2-chloro-3-(trifluoromethyl)phenyl]benzene
CID 119002255

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[2-(chloromethyl)-4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 2,4-dichloro-1-[2-(chloromethyl)-4-(trifluoromethyl)phenyl]benzene (CID 134619859) is 2,4-dichloro-1-[2-(chloromethyl)-4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[2-(chloromethyl)-4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[2-(chloromethyl)-4-(trifluoromethyl)phenyl]benzene is FC(F)(F)c1ccc(-c2ccc(Cl)cc2Cl)c(CCl)c1.
What is the InChIKey of 2,4-dichloro-1-[2-(chloromethyl)-4-(trifluoromethyl)phenyl]benzene?
The InChIKey is VNLQZKUKKAEXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3F3/c15-7-8-5-9(14(18,19)20)1-3-11(8)12-4-2-10(16)6-13(12)17/h1-6H,7H2.
What are the key properties of 2,4-dichloro-1-[2-(chloromethyl)-4-(trifluoromethyl)phenyl]benzene?
2,4-dichloro-1-[2-(chloromethyl)-4-(trifluoromethyl)phenyl]benzene has a molecular weight of 339.57 g/mol, XLogP of 6.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[2-(chloromethyl)-4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134619859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).