1,2,3-trichloro-5-[2-chloro-4-(trifluoromethoxy)phenyl]benzene

C13H5Cl4F3O — CID 134622938

IUPAC1,2,3-trichloro-5-[2-chloro-4-(trifluoromethoxy)phenyl]benzene
SMILESFC(F)(F)Oc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C13H5Cl4F3O/c14-9-5-7(21-13(18,19)20)1-2-8(9)6-3-10(15)12(17)11(16)4-6/h1-5H
InChIKeyVGVPGRGUOAXBCR-UHFFFAOYSA-N
MW375.99 g/mol
LogP6.87
Rot. Bonds2

About 1,2,3-trichloro-5-[2-chloro-4-(trifluoromethoxy)phenyl]benzene

1,2,3-trichloro-5-[2-chloro-4-(trifluoromethoxy)phenyl]benzene (PubChem CID 134622938) has the molecular formula C13H5Cl4F3O and a molecular weight of 375.99 g/mol. Its IUPAC name is 1,2,3-trichloro-5-[2-chloro-4-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1,2,3-trichloro-5-[2-chloro-4-(trifluoromethoxy)phenyl]benzene
PubChem CID134622938
Molecular FormulaC13H5Cl4F3O
Molecular Weight375.99 g/mol
Exact Mass373.90
IUPAC Name1,2,3-trichloro-5-[2-chloro-4-(trifluoromethoxy)phenyl]benzene
SMILESFC(F)(F)Oc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C13H5Cl4F3O/c14-9-5-7(21-13(18,19)20)1-2-8(9)6-3-10(15)12(17)11(16)4-6/h1-5H
InChIKeyVGVPGRGUOAXBCR-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_2', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene
CID 119008449
2-chloro-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene
CID 118999105
1,2-dichloro-4-[2-chloro-5-(trifluoromethoxy)phenyl]benzene
CID 119016186
1,2,4-trichloro-5-[2-chloro-5-(trifluoromethoxy)phenyl]benzene
CID 119003676
1,2,5-trichloro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 119016233
1,2,4-trichloro-5-[3-(trifluoromethoxy)phenyl]benzene
CID 118994485
1-(4-bromobut-1-ynyl)-2-chloro-4-(trifluoromethoxy)benzene
CID 170466940
2-chloro-5-(trifluoromethoxy)benzenethiol
CID 170997751
4-chloro-5-[2-chloro-4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 125490699
5-(4-chloro-2-fluorophenyl)-2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene
CID 58738407
N-[3-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide
CID 46191486
1,2-dichloro-3-[2-fluoro-5-(trifluoromethoxy)phenyl]benzene
CID 118809524

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trichloro-5-[2-chloro-4-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 1,2,3-trichloro-5-[2-chloro-4-(trifluoromethoxy)phenyl]benzene (CID 134622938) is 1,2,3-trichloro-5-[2-chloro-4-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1,2,3-trichloro-5-[2-chloro-4-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 1,2,3-trichloro-5-[2-chloro-4-(trifluoromethoxy)phenyl]benzene is FC(F)(F)Oc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2)c(Cl)c1.
What is the InChIKey of 1,2,3-trichloro-5-[2-chloro-4-(trifluoromethoxy)phenyl]benzene?
The InChIKey is VGVPGRGUOAXBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl4F3O/c14-9-5-7(21-13(18,19)20)1-2-8(9)6-3-10(15)12(17)11(16)4-6/h1-5H.
What are the key properties of 1,2,3-trichloro-5-[2-chloro-4-(trifluoromethoxy)phenyl]benzene?
1,2,3-trichloro-5-[2-chloro-4-(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 1,2,3-trichloro-5-[2-chloro-4-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 134622938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).