1,3-dichloro-5-(3,5-dichlorophenyl)-2-(trichloromethyl)benzene

C13H5Cl7 — CID 15191122

IUPAC1,3-dichloro-5-(3,5-dichlorophenyl)-2-(trichloromethyl)benzene
SMILESClc1cc(Cl)cc(-c2cc(Cl)c(C(Cl)(Cl)Cl)c(Cl)c2)c1
InChIInChI=1S/C13H5Cl7/c14-8-1-6(2-9(15)5-8)7-3-10(16)12(11(17)4-7)13(18,19)20/h1-5H
InChIKeyFOQFYLYDKCOCRE-UHFFFAOYSA-N
MW409.35 g/mol
LogP7.79
Rot. Bonds1

About 1,3-dichloro-5-(3,5-dichlorophenyl)-2-(trichloromethyl)benzene

1,3-dichloro-5-(3,5-dichlorophenyl)-2-(trichloromethyl)benzene (PubChem CID 15191122) has the molecular formula C13H5Cl7 and a molecular weight of 409.35 g/mol. Its IUPAC name is 1,3-dichloro-5-(3,5-dichlorophenyl)-2-(trichloromethyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-5-(3,5-dichlorophenyl)-2-(trichloromethyl)benzene
PubChem CID15191122
Molecular FormulaC13H5Cl7
Molecular Weight409.35 g/mol
Exact Mass405.82
IUPAC Name1,3-dichloro-5-(3,5-dichlorophenyl)-2-(trichloromethyl)benzene
SMILESClc1cc(Cl)cc(-c2cc(Cl)c(C(Cl)(Cl)Cl)c(Cl)c2)c1
InChIInChI=1S/C13H5Cl7/c14-8-1-6(2-9(15)5-8)7-3-10(16)12(11(17)4-7)13(18,19)20/h1-5H
InChIKeyFOQFYLYDKCOCRE-UHFFFAOYSA-N
XLogP7.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.35
LogP ≤ 57.79
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-dichloro-4-[3-chloro-5-(3,4-dichlorophenyl)phenyl]benzene
CID 129318156
1,2,4,5-tetrachloro-3-(trichloromethyl)benzene
CID 14434856
1,5-dichloro-3-[3,5-dichloro-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
CID 10971996
methane;tris(1,3,5-trichlorobenzene)
CID 175444750
sulfane;1,3,5-trichlorobenzene
CID 174951805
1-chloro-3,4-difluoro-2-(trichloromethyl)-5-(trifluoromethyl)benzene
CID 44717491
3,5-dichloro-2-(trifluoromethyl)benzenethiol
CID 151186428
1,3-dichloro-5-[4-(trifluoromethyl)phenyl]benzene
CID 57139215
1,5-dichloro-3-methyl-2-(trifluoromethyl)benzene
CID 59146247
3-chloro-5-(3,5-dichlorophenyl)pyridine
CID 133088482
3-chlorobicyclo[3.1.0]hexa-1(6),2,4-triene;ethane-1,2-diamine
CID 175219533
3-chloro-4-(3,5-dichlorophenyl)-5-fluoropyridine
CID 133090699

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-(3,5-dichlorophenyl)-2-(trichloromethyl)benzene?
The IUPAC name of 1,3-dichloro-5-(3,5-dichlorophenyl)-2-(trichloromethyl)benzene (CID 15191122) is 1,3-dichloro-5-(3,5-dichlorophenyl)-2-(trichloromethyl)benzene.
What is the SMILES notation for 1,3-dichloro-5-(3,5-dichlorophenyl)-2-(trichloromethyl)benzene?
The canonical SMILES for 1,3-dichloro-5-(3,5-dichlorophenyl)-2-(trichloromethyl)benzene is Clc1cc(Cl)cc(-c2cc(Cl)c(C(Cl)(Cl)Cl)c(Cl)c2)c1.
What is the InChIKey of 1,3-dichloro-5-(3,5-dichlorophenyl)-2-(trichloromethyl)benzene?
The InChIKey is FOQFYLYDKCOCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl7/c14-8-1-6(2-9(15)5-8)7-3-10(16)12(11(17)4-7)13(18,19)20/h1-5H.
What are the key properties of 1,3-dichloro-5-(3,5-dichlorophenyl)-2-(trichloromethyl)benzene?
1,3-dichloro-5-(3,5-dichlorophenyl)-2-(trichloromethyl)benzene has a molecular weight of 409.35 g/mol, XLogP of 7.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-(3,5-dichlorophenyl)-2-(trichloromethyl)benzene is sourced from PubChem (CID 15191122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).