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

C14H7Cl4F3 — CID 134622327

IUPAC1,2,4-trichloro-3-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1cc(CCl)cc(-c2c(Cl)ccc(Cl)c2Cl)c1
InChIInChI=1S/C14H7Cl4F3/c15-6-7-3-8(5-9(4-7)14(19,20)21)12-10(16)1-2-11(17)13(12)18/h1-5H,6H2
InChIKeyUEWNARHYKAYNSZ-UHFFFAOYSA-N
MW374.02 g/mol
LogP7.07
Rot. Bonds2

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

1,2,4-trichloro-3-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene (PubChem CID 134622327) has the molecular formula C14H7Cl4F3 and a molecular weight of 374.02 g/mol. Its IUPAC name is 1,2,4-trichloro-3-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,2,4-trichloro-3-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene
PubChem CID134622327
Molecular FormulaC14H7Cl4F3
Molecular Weight374.02 g/mol
Exact Mass371.93
IUPAC Name1,2,4-trichloro-3-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1cc(CCl)cc(-c2c(Cl)ccc(Cl)c2Cl)c1
InChIInChI=1S/C14H7Cl4F3/c15-6-7-3-8(5-9(4-7)14(19,20)21)12-10(16)1-2-11(17)13(12)18/h1-5H,6H2
InChIKeyUEWNARHYKAYNSZ-UHFFFAOYSA-N
XLogP7.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.02
LogP ≤ 57.07
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'}

Analyze 1,2,4-trichloro-3-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene with MolForge

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

Launch Full Analysis

Related Compounds

1,4-dichloro-2-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene
CID 134626452
1,2,4-trichloro-3-[3-(trifluoromethyl)phenyl]benzene
CID 119011151
4-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]pyridine
CID 46316208
1,2,4-trichloro-3-[5-(chloromethyl)-2-(trifluoromethyl)phenyl]benzene
CID 134628722
[3-chloro-5-(2,3,6-trichlorophenyl)phenyl]methanol
CID 134628956
1-(bromomethyl)-3-(2,3-dichlorophenyl)-5-(trifluoromethyl)benzene
CID 134625577
2-chloro-4-(chloromethyl)-1-[4-(trifluoromethyl)phenyl]benzene
CID 134619724
2-(2,3,6-trichlorophenyl)-5-(trifluoromethyl)pyrimidine
CID 118802423
2-chloro-1-(chloromethyl)-4-[3-(trifluoromethyl)phenyl]benzene
CID 134626202
1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
CID 163216983
3,5-bis(2,3,6-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134637276
[3-(4-methylphenyl)-5-(trifluoromethyl)phenyl]methanamine
CID 156612413

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trichloro-3-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,2,4-trichloro-3-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene (CID 134622327) is 1,2,4-trichloro-3-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,2,4-trichloro-3-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,2,4-trichloro-3-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene is FC(F)(F)c1cc(CCl)cc(-c2c(Cl)ccc(Cl)c2Cl)c1.
What is the InChIKey of 1,2,4-trichloro-3-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene?
The InChIKey is UEWNARHYKAYNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl4F3/c15-6-7-3-8(5-9(4-7)14(19,20)21)12-10(16)1-2-11(17)13(12)18/h1-5H,6H2.
What are the key properties of 1,2,4-trichloro-3-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene?
1,2,4-trichloro-3-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene has a molecular weight of 374.02 g/mol, XLogP of 7.07, 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-3-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134622327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).