1,2,3-trichloro-5-[2-chloro-6-(trifluoromethyl)phenyl]benzene

C13H5Cl4F3 — CID 134622946

IUPAC1,2,3-trichloro-5-[2-chloro-6-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1cccc(Cl)c1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C13H5Cl4F3/c14-8-3-1-2-7(13(18,19)20)11(8)6-4-9(15)12(17)10(16)5-6/h1-5H
InChIKeyZDJBPCYYRMKKEH-UHFFFAOYSA-N
MW359.99 g/mol
LogP6.99
Rot. Bonds1

About 1,2,3-trichloro-5-[2-chloro-6-(trifluoromethyl)phenyl]benzene

1,2,3-trichloro-5-[2-chloro-6-(trifluoromethyl)phenyl]benzene (PubChem CID 134622946) has the molecular formula C13H5Cl4F3 and a molecular weight of 359.99 g/mol. Its IUPAC name is 1,2,3-trichloro-5-[2-chloro-6-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,2,3-trichloro-5-[2-chloro-6-(trifluoromethyl)phenyl]benzene
PubChem CID134622946
Molecular FormulaC13H5Cl4F3
Molecular Weight359.99 g/mol
Exact Mass357.91
IUPAC Name1,2,3-trichloro-5-[2-chloro-6-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1cccc(Cl)c1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C13H5Cl4F3/c14-8-3-1-2-7(13(18,19)20)11(8)6-4-9(15)12(17)10(16)5-6/h1-5H
InChIKeyZDJBPCYYRMKKEH-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.99
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2-(trifluoromethyl)benzene
CID 161495124
1-chloro-2-(trifluoromethyl)benzene
CID 6921
4-chloro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 118822370
1,3,5-tris(2,6-dichlorophenyl)benzene
CID 134437988
2-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)benzonitrile
CID 172915375
3,4-bis(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine
CID 134635947
1-[3-[2-chloro-6-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 91806273
[3-chloro-2-(3,4,5-trichlorophenyl)phenyl]methanol
CID 134630647
1-bromo-4-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene
CID 66252198
4-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 133092434
1-chloro-5-(trifluoromethyl)naphthalene
CID 20538520
1,3-bis(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzene
CID 119000485

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trichloro-5-[2-chloro-6-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,2,3-trichloro-5-[2-chloro-6-(trifluoromethyl)phenyl]benzene (CID 134622946) is 1,2,3-trichloro-5-[2-chloro-6-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,2,3-trichloro-5-[2-chloro-6-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,2,3-trichloro-5-[2-chloro-6-(trifluoromethyl)phenyl]benzene is FC(F)(F)c1cccc(Cl)c1-c1cc(Cl)c(Cl)c(Cl)c1.
What is the InChIKey of 1,2,3-trichloro-5-[2-chloro-6-(trifluoromethyl)phenyl]benzene?
The InChIKey is ZDJBPCYYRMKKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl4F3/c14-8-3-1-2-7(13(18,19)20)11(8)6-4-9(15)12(17)10(16)5-6/h1-5H.
What are the key properties of 1,2,3-trichloro-5-[2-chloro-6-(trifluoromethyl)phenyl]benzene?
1,2,3-trichloro-5-[2-chloro-6-(trifluoromethyl)phenyl]benzene has a molecular weight of 359.99 g/mol, XLogP of 6.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trichloro-5-[2-chloro-6-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134622946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).