1,2,4-trichloro-5-[2-chloro-5-(trifluoromethoxy)phenyl]benzene

C13H5Cl4F3O — CID 119003676

IUPAC1,2,4-trichloro-5-[2-chloro-5-(trifluoromethoxy)phenyl]benzene
SMILESFC(F)(F)Oc1ccc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C13H5Cl4F3O/c14-9-2-1-6(21-13(18,19)20)3-7(9)8-4-11(16)12(17)5-10(8)15/h1-5H
InChIKeyIDJVVUTTWKKKLO-UHFFFAOYSA-N
MW375.99 g/mol
LogP6.87
Rot. Bonds2

About 1,2,4-trichloro-5-[2-chloro-5-(trifluoromethoxy)phenyl]benzene

1,2,4-trichloro-5-[2-chloro-5-(trifluoromethoxy)phenyl]benzene (PubChem CID 119003676) has the molecular formula C13H5Cl4F3O and a molecular weight of 375.99 g/mol. Its IUPAC name is 1,2,4-trichloro-5-[2-chloro-5-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1,2,4-trichloro-5-[2-chloro-5-(trifluoromethoxy)phenyl]benzene
PubChem CID119003676
Molecular FormulaC13H5Cl4F3O
Molecular Weight375.99 g/mol
Exact Mass373.90
IUPAC Name1,2,4-trichloro-5-[2-chloro-5-(trifluoromethoxy)phenyl]benzene
SMILESFC(F)(F)Oc1ccc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C13H5Cl4F3O/c14-9-2-1-6(21-13(18,19)20)3-7(9)8-4-11(16)12(17)5-10(8)15/h1-5H
InChIKeyIDJVVUTTWKKKLO-UHFFFAOYSA-N
XLogP6.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.99
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1,2-dichloro-4-[2-chloro-5-(trifluoromethoxy)phenyl]benzene
CID 119016186
1,2,4-trichloro-5-[3-(trifluoromethoxy)phenyl]benzene
CID 118994485
2-chloro-5-(trifluoromethoxy)benzenethiol
CID 170997751
1,2,3-trichloro-5-[2-chloro-4-(trifluoromethoxy)phenyl]benzene
CID 134622938
6-[2-chloro-5-(trifluoromethoxy)phenyl]-1H-pyridine-2-thione
CID 123703827
[2-chloro-5-(trifluoromethoxy)phenyl]-trifluoroboranuide
CID 167717521
1-[2-(2-chloro-5-fluorophenyl)-4-(trifluoromethoxy)phenyl]-N-methylmethanamine
CID 172653781
[2-chloro-5-(trifluoromethoxy)phenyl]methanamine
CID 118990752
1-chloro-2-methylsulfanyl-4-(trifluoromethoxy)benzene
CID 170998677
1-chloro-2-ethyl-4-(trifluoromethoxy)benzene
CID 70889099
2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene
CID 119008449
2-chloro-5-(trifluoromethoxy)benzamide
CID 119004987

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trichloro-5-[2-chloro-5-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 1,2,4-trichloro-5-[2-chloro-5-(trifluoromethoxy)phenyl]benzene (CID 119003676) is 1,2,4-trichloro-5-[2-chloro-5-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1,2,4-trichloro-5-[2-chloro-5-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 1,2,4-trichloro-5-[2-chloro-5-(trifluoromethoxy)phenyl]benzene is FC(F)(F)Oc1ccc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c1.
What is the InChIKey of 1,2,4-trichloro-5-[2-chloro-5-(trifluoromethoxy)phenyl]benzene?
The InChIKey is IDJVVUTTWKKKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl4F3O/c14-9-2-1-6(21-13(18,19)20)3-7(9)8-4-11(16)12(17)5-10(8)15/h1-5H.
What are the key properties of 1,2,4-trichloro-5-[2-chloro-5-(trifluoromethoxy)phenyl]benzene?
1,2,4-trichloro-5-[2-chloro-5-(trifluoromethoxy)phenyl]benzene has a molecular weight of 375.99 g/mol, XLogP of 6.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trichloro-5-[2-chloro-5-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 119003676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).