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

C13H6Cl4F2 — CID 134628125

IUPAC1,2,4-trichloro-5-[2-chloro-4-(difluoromethyl)phenyl]benzene
SMILESFC(F)c1ccc(-c2cc(Cl)c(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C13H6Cl4F2/c14-9-3-6(13(18)19)1-2-7(9)8-4-11(16)12(17)5-10(8)15/h1-5,13H
InChIKeyNYHWYYVPGSRKAS-UHFFFAOYSA-N
MW342.00 g/mol
LogP6.90
Rot. Bonds2

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

1,2,4-trichloro-5-[2-chloro-4-(difluoromethyl)phenyl]benzene (PubChem CID 134628125) has the molecular formula C13H6Cl4F2 and a molecular weight of 342.00 g/mol. Its IUPAC name is 1,2,4-trichloro-5-[2-chloro-4-(difluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,2,4-trichloro-5-[2-chloro-4-(difluoromethyl)phenyl]benzene
PubChem CID134628125
Molecular FormulaC13H6Cl4F2
Molecular Weight342.00 g/mol
Exact Mass339.92
IUPAC Name1,2,4-trichloro-5-[2-chloro-4-(difluoromethyl)phenyl]benzene
SMILESFC(F)c1ccc(-c2cc(Cl)c(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C13H6Cl4F2/c14-9-3-6(13(18)19)1-2-7(9)8-4-11(16)12(17)5-10(8)15/h1-5,13H
InChIKeyNYHWYYVPGSRKAS-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_1', 'substructure': 'N/A'}

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Related Compounds

1,3-dichloro-2-[2-chloro-4-(difluoromethyl)phenyl]benzene
CID 119017107
1-[2-chloro-4-(difluoromethyl)phenyl]-2,3-difluorobenzene
CID 119023338
4-[2-chloro-4-(difluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 117360992
[3-[2-chloro-4-(difluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117403158
1,3,5-trichloro-2-[4-(difluoromethyl)-2-(trifluoromethyl)phenyl]benzene
CID 118828795
2-[2-chloro-4-(difluoromethyl)phenyl]propan-1-amine
CID 117313656
2-chloro-4-(difluoromethyl)-1-isocyanatobenzene
CID 159788156
1-[2-chloro-4-(difluoromethyl)phenyl]-2-(methylamino)ethanol
CID 84699082
1-chloro-4-(difluoromethyl)-2-methoxybenzene
CID 84664383
1-[2-chloro-5-(difluoromethyl)phenyl]ethanol
CID 84674717
3-[2-chloro-4-(difluoromethyl)phenyl]propan-1-ol
CID 117315030
2-[3-chloro-4-(4-chloro-2-fluorophenyl)phenyl]propanal
CID 21406797

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trichloro-5-[2-chloro-4-(difluoromethyl)phenyl]benzene?
The IUPAC name of 1,2,4-trichloro-5-[2-chloro-4-(difluoromethyl)phenyl]benzene (CID 134628125) is 1,2,4-trichloro-5-[2-chloro-4-(difluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,2,4-trichloro-5-[2-chloro-4-(difluoromethyl)phenyl]benzene?
The canonical SMILES for 1,2,4-trichloro-5-[2-chloro-4-(difluoromethyl)phenyl]benzene is FC(F)c1ccc(-c2cc(Cl)c(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of 1,2,4-trichloro-5-[2-chloro-4-(difluoromethyl)phenyl]benzene?
The InChIKey is NYHWYYVPGSRKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl4F2/c14-9-3-6(13(18)19)1-2-7(9)8-4-11(16)12(17)5-10(8)15/h1-5,13H.
What are the key properties of 1,2,4-trichloro-5-[2-chloro-4-(difluoromethyl)phenyl]benzene?
1,2,4-trichloro-5-[2-chloro-4-(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 1,2,4-trichloro-5-[2-chloro-4-(difluoromethyl)phenyl]benzene is sourced from PubChem (CID 134628125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).