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

C14H8Cl3F3 — CID 63436291

IUPAC1,4-dichloro-2-[chloro-[2-(trifluoromethyl)phenyl]methyl]benzene
SMILESFC(F)(F)c1ccccc1C(Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H8Cl3F3/c15-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)14(18,19)20/h1-7,13H
InChIKeyKZDFRSJSPINUPD-UHFFFAOYSA-N
MW339.57 g/mol
LogP6.34
Rot. Bonds2

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

1,4-dichloro-2-[chloro-[2-(trifluoromethyl)phenyl]methyl]benzene (PubChem CID 63436291) has the molecular formula C14H8Cl3F3 and a molecular weight of 339.57 g/mol. Its IUPAC name is 1,4-dichloro-2-[chloro-[2-(trifluoromethyl)phenyl]methyl]benzene.

Molecular Properties

Compound Name1,4-dichloro-2-[chloro-[2-(trifluoromethyl)phenyl]methyl]benzene
PubChem CID63436291
Molecular FormulaC14H8Cl3F3
Molecular Weight339.57 g/mol
Exact Mass337.96
IUPAC Name1,4-dichloro-2-[chloro-[2-(trifluoromethyl)phenyl]methyl]benzene
SMILESFC(F)(F)c1ccccc1C(Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H8Cl3F3/c15-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)14(18,19)20/h1-7,13H
InChIKeyKZDFRSJSPINUPD-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

2,4-dichloro-1-[chloro-[2-(trifluoromethyl)phenyl]methyl]benzene
CID 63443981
2-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,4-dichlorobenzene
CID 63444855
1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]benzene
CID 55200431
1-chloro-2-[chloro-[2-(trifluoromethyl)phenyl]methyl]-5-fluoro-4-methylbenzene
CID 81047770
1,4-dichloro-2-[chloro-(2-iodophenyl)methyl]benzene
CID 63436203
1,4-dichloro-2-[chloro-(2-chloro-3-fluorophenyl)methyl]benzene
CID 81461610
N-[1-(2,5-dichlorophenyl)ethyl]-2-(trifluoromethyl)aniline
CID 43103861
1,2-dichloro-3-[chloro-(2,5-dichlorophenyl)methyl]benzene
CID 63436330
1-(5-chloro-2-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 114886168
1-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]naphthalene
CID 79592810
1,4-dichloro-2-[chloro-(2,4-dichlorophenyl)methyl]benzene
CID 63436201
[(4-chloro-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105217891

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-[chloro-[2-(trifluoromethyl)phenyl]methyl]benzene?
The IUPAC name of 1,4-dichloro-2-[chloro-[2-(trifluoromethyl)phenyl]methyl]benzene (CID 63436291) is 1,4-dichloro-2-[chloro-[2-(trifluoromethyl)phenyl]methyl]benzene.
What is the SMILES notation for 1,4-dichloro-2-[chloro-[2-(trifluoromethyl)phenyl]methyl]benzene?
The canonical SMILES for 1,4-dichloro-2-[chloro-[2-(trifluoromethyl)phenyl]methyl]benzene is FC(F)(F)c1ccccc1C(Cl)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1,4-dichloro-2-[chloro-[2-(trifluoromethyl)phenyl]methyl]benzene?
The InChIKey is KZDFRSJSPINUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3F3/c15-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)14(18,19)20/h1-7,13H.
What are the key properties of 1,4-dichloro-2-[chloro-[2-(trifluoromethyl)phenyl]methyl]benzene?
1,4-dichloro-2-[chloro-[2-(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 1,4-dichloro-2-[chloro-[2-(trifluoromethyl)phenyl]methyl]benzene is sourced from PubChem (CID 63436291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).