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

C13H6Cl4F2 — CID 118843076

IUPAC1,2,3-trichloro-5-[3-chloro-2-(difluoromethyl)phenyl]benzene
SMILESFC(F)c1c(Cl)cccc1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C13H6Cl4F2/c14-8-3-1-2-7(11(8)13(18)19)6-4-9(15)12(17)10(16)5-6/h1-5,13H
InChIKeyWSHQWDJGWJKKQH-UHFFFAOYSA-N
MW342.00 g/mol
LogP6.90
Rot. Bonds2

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

1,2,3-trichloro-5-[3-chloro-2-(difluoromethyl)phenyl]benzene (PubChem CID 118843076) has the molecular formula C13H6Cl4F2 and a molecular weight of 342.00 g/mol. Its IUPAC name is 1,2,3-trichloro-5-[3-chloro-2-(difluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,2,3-trichloro-5-[3-chloro-2-(difluoromethyl)phenyl]benzene
PubChem CID118843076
Molecular FormulaC13H6Cl4F2
Molecular Weight342.00 g/mol
Exact Mass339.92
IUPAC Name1,2,3-trichloro-5-[3-chloro-2-(difluoromethyl)phenyl]benzene
SMILESFC(F)c1c(Cl)cccc1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C13H6Cl4F2/c14-8-3-1-2-7(11(8)13(18)19)6-4-9(15)12(17)10(16)5-6/h1-5,13H
InChIKeyWSHQWDJGWJKKQH-UHFFFAOYSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.00
LogP ≤ 56.90
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

1,2-dichloro-4-[3-chloro-2-(difluoromethyl)phenyl]benzene
CID 134625952
2,4-dichloro-1-[3-chloro-2-(difluoromethyl)phenyl]benzene
CID 134625949
1,2,3-trichloro-5-[4-chloro-2-(difluoromethyl)phenyl]benzene
CID 118809022
5-[2-(bromomethyl)-3-chlorophenyl]-1,2,3-trichlorobenzene
CID 134617193
1,2-dichloro-3-[3-(difluoromethyl)-4-fluorophenyl]benzene
CID 118837736
1,2,3-trichloro-5-(3-fluoro-2-methoxyphenyl)benzene
CID 134626763
1,2,3-trichloro-5-(2-fluoro-3-methoxyphenyl)benzene
CID 134620248
1-chloro-2-(difluoromethyl)-3-propan-2-ylbenzene
CID 169127619
1-chloro-3-(4-fluorophenyl)-2-propan-2-ylbenzene
CID 54148188
1,2,5-trichloro-3-[2-chloro-6-(difluoromethyl)phenyl]benzene
CID 134617250
1,3-dichloro-2-[2-chloro-4-(difluoromethyl)phenyl]benzene
CID 119017107
(1R)-1-(2,6-dichlorophenyl)-2,2-difluoroethanamine
CID 130739555

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trichloro-5-[3-chloro-2-(difluoromethyl)phenyl]benzene?
The IUPAC name of 1,2,3-trichloro-5-[3-chloro-2-(difluoromethyl)phenyl]benzene (CID 118843076) is 1,2,3-trichloro-5-[3-chloro-2-(difluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,2,3-trichloro-5-[3-chloro-2-(difluoromethyl)phenyl]benzene?
The canonical SMILES for 1,2,3-trichloro-5-[3-chloro-2-(difluoromethyl)phenyl]benzene is FC(F)c1c(Cl)cccc1-c1cc(Cl)c(Cl)c(Cl)c1.
What is the InChIKey of 1,2,3-trichloro-5-[3-chloro-2-(difluoromethyl)phenyl]benzene?
The InChIKey is WSHQWDJGWJKKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl4F2/c14-8-3-1-2-7(11(8)13(18)19)6-4-9(15)12(17)10(16)5-6/h1-5,13H.
What are the key properties of 1,2,3-trichloro-5-[3-chloro-2-(difluoromethyl)phenyl]benzene?
1,2,3-trichloro-5-[3-chloro-2-(difluoromethyl)phenyl]benzene has a molecular weight of 342.00 g/mol, XLogP of 6.90, 2 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-[3-chloro-2-(difluoromethyl)phenyl]benzene is sourced from PubChem (CID 118843076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).