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

C13H6Cl3F3O — CID 119016186

IUPAC1,2-dichloro-4-[2-chloro-5-(trifluoromethoxy)phenyl]benzene
SMILESFC(F)(F)Oc1ccc(Cl)c(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C13H6Cl3F3O/c14-10-4-2-8(20-13(17,18)19)6-9(10)7-1-3-11(15)12(16)5-7/h1-6H
InChIKeyRKSDYONGSLSCBJ-UHFFFAOYSA-N
MW341.54 g/mol
LogP6.21
Rot. Bonds2

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

1,2-dichloro-4-[2-chloro-5-(trifluoromethoxy)phenyl]benzene (PubChem CID 119016186) has the molecular formula C13H6Cl3F3O and a molecular weight of 341.54 g/mol. Its IUPAC name is 1,2-dichloro-4-[2-chloro-5-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[2-chloro-5-(trifluoromethoxy)phenyl]benzene
PubChem CID119016186
Molecular FormulaC13H6Cl3F3O
Molecular Weight341.54 g/mol
Exact Mass339.94
IUPAC Name1,2-dichloro-4-[2-chloro-5-(trifluoromethoxy)phenyl]benzene
SMILESFC(F)(F)Oc1ccc(Cl)c(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C13H6Cl3F3O/c14-10-4-2-8(20-13(17,18)19)6-9(10)7-1-3-11(15)12(16)5-7/h1-6H
InChIKeyRKSDYONGSLSCBJ-UHFFFAOYSA-N
XLogP6.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.54
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,4-trichloro-5-[2-chloro-5-(trifluoromethoxy)phenyl]benzene
CID 119003676
1,2,4-trichloro-5-[3-(trifluoromethoxy)phenyl]benzene
CID 118994485
1,2,3-trichloro-5-[2-chloro-4-(trifluoromethoxy)phenyl]benzene
CID 134622938
2-chloro-5-(trifluoromethoxy)benzenethiol
CID 170997751
4-(bromomethyl)-1-chloro-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629432
2-[4-chloro-3-[4-(trifluoromethoxy)phenyl]phenyl]acetonitrile
CID 134631021
(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 116628508
2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene
CID 119008449
6-[2-chloro-5-(trifluoromethoxy)phenyl]-1H-pyridine-2-thione
CID 123703827
[2-chloro-5-(trifluoromethoxy)phenyl]-trifluoroboranuide
CID 167717521
1,2,5-trichloro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 119016233
5-chloro-2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171916719

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[2-chloro-5-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 1,2-dichloro-4-[2-chloro-5-(trifluoromethoxy)phenyl]benzene (CID 119016186) is 1,2-dichloro-4-[2-chloro-5-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[2-chloro-5-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[2-chloro-5-(trifluoromethoxy)phenyl]benzene is FC(F)(F)Oc1ccc(Cl)c(-c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 1,2-dichloro-4-[2-chloro-5-(trifluoromethoxy)phenyl]benzene?
The InChIKey is RKSDYONGSLSCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl3F3O/c14-10-4-2-8(20-13(17,18)19)6-9(10)7-1-3-11(15)12(16)5-7/h1-6H.
What are the key properties of 1,2-dichloro-4-[2-chloro-5-(trifluoromethoxy)phenyl]benzene?
1,2-dichloro-4-[2-chloro-5-(trifluoromethoxy)phenyl]benzene has a molecular weight of 341.54 g/mol, XLogP of 6.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[2-chloro-5-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 119016186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).