1,2,3-trichloro-4-[2-methyl-5-(trifluoromethyl)phenyl]benzene

C14H8Cl3F3 — CID 134620909

IUPAC1,2,3-trichloro-4-[2-methyl-5-(trifluoromethyl)phenyl]benzene
SMILESCc1ccc(C(F)(F)F)cc1-c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C14H8Cl3F3/c1-7-2-3-8(14(18,19)20)6-10(7)9-4-5-11(15)13(17)12(9)16/h2-6H,1H3
InChIKeyGSBQUKQGJOWRBI-UHFFFAOYSA-N
MW339.57 g/mol
LogP6.64
Rot. Bonds1

About 1,2,3-trichloro-4-[2-methyl-5-(trifluoromethyl)phenyl]benzene

1,2,3-trichloro-4-[2-methyl-5-(trifluoromethyl)phenyl]benzene (PubChem CID 134620909) has the molecular formula C14H8Cl3F3 and a molecular weight of 339.57 g/mol. Its IUPAC name is 1,2,3-trichloro-4-[2-methyl-5-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,2,3-trichloro-4-[2-methyl-5-(trifluoromethyl)phenyl]benzene
PubChem CID134620909
Molecular FormulaC14H8Cl3F3
Molecular Weight339.57 g/mol
Exact Mass337.96
IUPAC Name1,2,3-trichloro-4-[2-methyl-5-(trifluoromethyl)phenyl]benzene
SMILESCc1ccc(C(F)(F)F)cc1-c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C14H8Cl3F3/c1-7-2-3-8(14(18,19)20)6-10(7)9-4-5-11(15)13(17)12(9)16/h2-6H,1H3
InChIKeyGSBQUKQGJOWRBI-UHFFFAOYSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.57
LogP ≤ 56.64
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-3-[2-methyl-4-(trifluoromethyl)phenyl]benzene
CID 118815271
2,3-dichloro-1-methyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 171367983
1-chloro-2-(4-methylphenyl)-4-(trifluoromethyl)benzene
CID 162568601
2-(2-chloro-5-methylphenyl)-4-methyl-5-[2-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 162581553
1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene
CID 91161720
2-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole
CID 163645607
1,4-dichloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]benzene
CID 134618163
1,2-diethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]benzene
CID 130243350
2-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 140533162
1,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]benzene
CID 139967906
2-bromo-1-methyl-4-(trifluoromethyl)benzene
CID 2779376
1-chloro-4-(2-fluoropropan-2-yl)-2-methylbenzene
CID 166786212

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trichloro-4-[2-methyl-5-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,2,3-trichloro-4-[2-methyl-5-(trifluoromethyl)phenyl]benzene (CID 134620909) is 1,2,3-trichloro-4-[2-methyl-5-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,2,3-trichloro-4-[2-methyl-5-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,2,3-trichloro-4-[2-methyl-5-(trifluoromethyl)phenyl]benzene is Cc1ccc(C(F)(F)F)cc1-c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of 1,2,3-trichloro-4-[2-methyl-5-(trifluoromethyl)phenyl]benzene?
The InChIKey is GSBQUKQGJOWRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3F3/c1-7-2-3-8(14(18,19)20)6-10(7)9-4-5-11(15)13(17)12(9)16/h2-6H,1H3.
What are the key properties of 1,2,3-trichloro-4-[2-methyl-5-(trifluoromethyl)phenyl]benzene?
1,2,3-trichloro-4-[2-methyl-5-(trifluoromethyl)phenyl]benzene has a molecular weight of 339.57 g/mol, XLogP of 6.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trichloro-4-[2-methyl-5-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134620909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).