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

C14H8Cl3F3 — CID 134626452

IUPAC1,4-dichloro-2-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1cc(CCl)cc(-c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H8Cl3F3/c15-7-8-3-9(5-10(4-8)14(18,19)20)12-6-11(16)1-2-13(12)17/h1-6H,7H2
InChIKeyVIVFXOJQEIKRSF-UHFFFAOYSA-N
MW339.57 g/mol
LogP6.42
Rot. Bonds2

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

1,4-dichloro-2-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene (PubChem CID 134626452) has the molecular formula C14H8Cl3F3 and a molecular weight of 339.57 g/mol. Its IUPAC name is 1,4-dichloro-2-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,4-dichloro-2-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene
PubChem CID134626452
Molecular FormulaC14H8Cl3F3
Molecular Weight339.57 g/mol
Exact Mass337.96
IUPAC Name1,4-dichloro-2-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1cc(CCl)cc(-c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H8Cl3F3/c15-7-8-3-9(5-10(4-8)14(18,19)20)12-6-11(16)1-2-13(12)17/h1-6H,7H2
InChIKeyVIVFXOJQEIKRSF-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

1,2,4-trichloro-3-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene
CID 134622327
1,4-dichloro-2-[3-(trifluoromethyl)phenyl]benzene
CID 118992050
4-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]pyridine
CID 46316208
1,4-dichloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]benzene
CID 134618163
1,4-dichloro-2-[3-chloro-4-(trifluoromethyl)phenyl]benzene
CID 134625918
1-(bromomethyl)-3-(2,3-dichlorophenyl)-5-(trifluoromethyl)benzene
CID 134625577
1-chloro-2-(3-chlorophenyl)-4-(trifluoromethyl)benzene
CID 91233147
2-chloro-4-(chloromethyl)-1-[4-(trifluoromethyl)phenyl]benzene
CID 134619724
2,4-dichloro-1-[2-(chloromethyl)-4-(trifluoromethyl)phenyl]benzene
CID 134619859
[4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 134631582
2-(2,5-dichlorophenyl)-5-(trifluoromethyl)pyridine
CID 118813630
1-chloro-2-[3-ethenyl-5-(trifluoromethyl)phenyl]-4-fluorobenzene
CID 172653886

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,4-dichloro-2-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene (CID 134626452) is 1,4-dichloro-2-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,4-dichloro-2-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,4-dichloro-2-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene is FC(F)(F)c1cc(CCl)cc(-c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 1,4-dichloro-2-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene?
The InChIKey is VIVFXOJQEIKRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3F3/c15-7-8-3-9(5-10(4-8)14(18,19)20)12-6-11(16)1-2-13(12)17/h1-6H,7H2.
What are the key properties of 1,4-dichloro-2-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene?
1,4-dichloro-2-[3-(chloromethyl)-5-(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 1,4-dichloro-2-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134626452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).