2,4-dichloro-1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]benzene

C14H8Cl3F3 — CID 57180833

IUPAC2,4-dichloro-1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]benzene
SMILESFC(F)(F)c1cccc(Cc2ccc(Cl)cc2Cl)c1Cl
InChIInChI=1S/C14H8Cl3F3/c15-10-5-4-8(12(16)7-10)6-9-2-1-3-11(13(9)17)14(18,19)20/h1-5,7H,6H2
InChIKeyMRJRDRAEQZPBJU-UHFFFAOYSA-N
MW339.57 g/mol
LogP6.26
Rot. Bonds2

About 2,4-dichloro-1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]benzene

2,4-dichloro-1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]benzene (PubChem CID 57180833) has the molecular formula C14H8Cl3F3 and a molecular weight of 339.57 g/mol. Its IUPAC name is 2,4-dichloro-1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]benzene
PubChem CID57180833
Molecular FormulaC14H8Cl3F3
Molecular Weight339.57 g/mol
Exact Mass337.96
IUPAC Name2,4-dichloro-1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]benzene
SMILESFC(F)(F)c1cccc(Cc2ccc(Cl)cc2Cl)c1Cl
InChIInChI=1S/C14H8Cl3F3/c15-10-5-4-8(12(16)7-10)6-9-2-1-3-11(13(9)17)14(18,19)20/h1-5,7H,6H2
InChIKeyMRJRDRAEQZPBJU-UHFFFAOYSA-N
XLogP6.26
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 ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,4-dichloro-1-[[2-chloro-3-(trifluoromethyl)phenyl]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 2,4-dichloro-1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]benzene?
The IUPAC name of 2,4-dichloro-1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]benzene (CID 57180833) is 2,4-dichloro-1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]benzene is FC(F)(F)c1cccc(Cc2ccc(Cl)cc2Cl)c1Cl.
What is the InChIKey of 2,4-dichloro-1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]benzene?
The InChIKey is MRJRDRAEQZPBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3F3/c15-10-5-4-8(12(16)7-10)6-9-2-1-3-11(13(9)17)14(18,19)20/h1-5,7H,6H2.
What are the key properties of 2,4-dichloro-1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]benzene?
2,4-dichloro-1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]benzene has a molecular weight of 339.57 g/mol, XLogP of 6.26, 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-chloro-3-(trifluoromethyl)phenyl]methyl]benzene is sourced from PubChem (CID 57180833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).