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

C14H8Cl3F3 — CID 63443935

IUPAC2,4-dichloro-1-[chloro-[3-(trifluoromethyl)phenyl]methyl]benzene
SMILESFC(F)(F)c1cccc(C(Cl)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H8Cl3F3/c15-10-4-5-11(12(16)7-10)13(17)8-2-1-3-9(6-8)14(18,19)20/h1-7,13H
InChIKeyZCUIHPUDYHPZLN-UHFFFAOYSA-N
MW339.57 g/mol
LogP6.34
Rot. Bonds2

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

2,4-dichloro-1-[chloro-[3-(trifluoromethyl)phenyl]methyl]benzene (PubChem CID 63443935) has the molecular formula C14H8Cl3F3 and a molecular weight of 339.57 g/mol. Its IUPAC name is 2,4-dichloro-1-[chloro-[3-(trifluoromethyl)phenyl]methyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[chloro-[3-(trifluoromethyl)phenyl]methyl]benzene
PubChem CID63443935
Molecular FormulaC14H8Cl3F3
Molecular Weight339.57 g/mol
Exact Mass337.96
IUPAC Name2,4-dichloro-1-[chloro-[3-(trifluoromethyl)phenyl]methyl]benzene
SMILESFC(F)(F)c1cccc(C(Cl)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H8Cl3F3/c15-10-4-5-11(12(16)7-10)13(17)8-2-1-3-9(6-8)14(18,19)20/h1-7,13H
InChIKeyZCUIHPUDYHPZLN-UHFFFAOYSA-N
XLogP6.34
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 ≤ 56.34
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

1-chloro-2-[chloro-[3-(trifluoromethyl)phenyl]methyl]-4,5-dimethylbenzene
CID 115484622
1-[chloro-[3-(trifluoromethyl)phenyl]methyl]-2,4-difluoro-5-methylbenzene
CID 79725024
2,4-dichloro-1-[chloro-[2-(trifluoromethyl)phenyl]methyl]benzene
CID 63443981
1-[(2,4-dichlorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 3297295
1,3-dichloro-5-[chloro-(2,4-dichlorophenyl)methyl]benzene
CID 63444209
2,4-dichloro-1-[chloro-(2,6-difluorophenyl)methyl]benzene
CID 55199949
(2,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 61273169
2-(2,5-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 65317239
1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63429159
1-chloro-2-[chloro-(3-chlorophenyl)methyl]benzene
CID 14417332
1,4-dichloro-2-[chloro-(3-chlorophenyl)methyl]benzene
CID 63436332
1-[(3-bromo-4-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 114024931

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[chloro-[3-(trifluoromethyl)phenyl]methyl]benzene?
The IUPAC name of 2,4-dichloro-1-[chloro-[3-(trifluoromethyl)phenyl]methyl]benzene (CID 63443935) is 2,4-dichloro-1-[chloro-[3-(trifluoromethyl)phenyl]methyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[chloro-[3-(trifluoromethyl)phenyl]methyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[chloro-[3-(trifluoromethyl)phenyl]methyl]benzene is FC(F)(F)c1cccc(C(Cl)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2,4-dichloro-1-[chloro-[3-(trifluoromethyl)phenyl]methyl]benzene?
The InChIKey is ZCUIHPUDYHPZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3F3/c15-10-4-5-11(12(16)7-10)13(17)8-2-1-3-9(6-8)14(18,19)20/h1-7,13H.
What are the key properties of 2,4-dichloro-1-[chloro-[3-(trifluoromethyl)phenyl]methyl]benzene?
2,4-dichloro-1-[chloro-[3-(trifluoromethyl)phenyl]methyl]benzene has a molecular weight of 339.57 g/mol, XLogP of 6.34, 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-[chloro-[3-(trifluoromethyl)phenyl]methyl]benzene is sourced from PubChem (CID 63443935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).