1,2,4-trichloro-5-(3-fluoro-4-methylphenyl)benzene

C13H8Cl3F — CID 134626862

IUPAC1,2,4-trichloro-5-(3-fluoro-4-methylphenyl)benzene
SMILESCc1ccc(-c2cc(Cl)c(Cl)cc2Cl)cc1F
InChIInChI=1S/C13H8Cl3F/c1-7-2-3-8(4-13(7)17)9-5-11(15)12(16)6-10(9)14/h2-6H,1H3
InChIKeyGAZHJDRZEOFBEY-UHFFFAOYSA-N
MW289.56 g/mol
LogP5.76
Rot. Bonds1

About 1,2,4-trichloro-5-(3-fluoro-4-methylphenyl)benzene

1,2,4-trichloro-5-(3-fluoro-4-methylphenyl)benzene (PubChem CID 134626862) has the molecular formula C13H8Cl3F and a molecular weight of 289.56 g/mol. Its IUPAC name is 1,2,4-trichloro-5-(3-fluoro-4-methylphenyl)benzene.

Molecular Properties

Compound Name1,2,4-trichloro-5-(3-fluoro-4-methylphenyl)benzene
PubChem CID134626862
Molecular FormulaC13H8Cl3F
Molecular Weight289.56 g/mol
Exact Mass287.97
IUPAC Name1,2,4-trichloro-5-(3-fluoro-4-methylphenyl)benzene
SMILESCc1ccc(-c2cc(Cl)c(Cl)cc2Cl)cc1F
InChIInChI=1S/C13H8Cl3F/c1-7-2-3-8(4-13(7)17)9-5-11(15)12(16)6-10(9)14/h2-6H,1H3
InChIKeyGAZHJDRZEOFBEY-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.56
LogP ≤ 55.76
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

1,2,4-trichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134626732
4-chloro-2-(3-fluoro-4-methylphenyl)aniline
CID 115502446
2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 22899602
5-chloro-2-(3-fluoro-4-methylphenyl)benzaldehyde
CID 115502480
CID 123714778
CID 123714778
5,6-dichloro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole
CID 82004686
5-(2-chloro-5-fluoro-4-methylphenyl)-2-fluoropyridine
CID 170620232
2-(3-fluoro-4-methylphenyl)-4-methylphenol
CID 83129977
1-(3-chloro-4-methylphenyl)-2,3-difluorobenzene
CID 134625893
ethane;2-(3-fluoro-4-methylphenyl)-5-methylaniline
CID 144852270
2-fluoro-1-methyl-4-[2-(trifluoromethyl)phenyl]benzene
CID 123409269
1-(4-bromo-3-chlorophenyl)-2,4,5-trichlorobenzene
CID 101446693

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trichloro-5-(3-fluoro-4-methylphenyl)benzene?
The IUPAC name of 1,2,4-trichloro-5-(3-fluoro-4-methylphenyl)benzene (CID 134626862) is 1,2,4-trichloro-5-(3-fluoro-4-methylphenyl)benzene.
What is the SMILES notation for 1,2,4-trichloro-5-(3-fluoro-4-methylphenyl)benzene?
The canonical SMILES for 1,2,4-trichloro-5-(3-fluoro-4-methylphenyl)benzene is Cc1ccc(-c2cc(Cl)c(Cl)cc2Cl)cc1F.
What is the InChIKey of 1,2,4-trichloro-5-(3-fluoro-4-methylphenyl)benzene?
The InChIKey is GAZHJDRZEOFBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3F/c1-7-2-3-8(4-13(7)17)9-5-11(15)12(16)6-10(9)14/h2-6H,1H3.
What are the key properties of 1,2,4-trichloro-5-(3-fluoro-4-methylphenyl)benzene?
1,2,4-trichloro-5-(3-fluoro-4-methylphenyl)benzene has a molecular weight of 289.56 g/mol, XLogP of 5.76, 1 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-(3-fluoro-4-methylphenyl)benzene is sourced from PubChem (CID 134626862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).