1-chloro-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene

C15H11Cl2F3 — CID 65100290

IUPAC1-chloro-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene
SMILESCc1cc(C(Cl)c2c(F)cc(F)cc2F)c(C)cc1Cl
InChIInChI=1S/C15H11Cl2F3/c1-7-4-11(16)8(2)3-10(7)15(17)14-12(19)5-9(18)6-13(14)20/h3-6,15H,1-2H3
InChIKeyNBABFOJXIIBHJK-UHFFFAOYSA-N
MW319.15 g/mol
LogP5.70
Rot. Bonds2

About 1-chloro-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene

1-chloro-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene (PubChem CID 65100290) has the molecular formula C15H11Cl2F3 and a molecular weight of 319.15 g/mol. Its IUPAC name is 1-chloro-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene.

Molecular Properties

Compound Name1-chloro-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene
PubChem CID65100290
Molecular FormulaC15H11Cl2F3
Molecular Weight319.15 g/mol
Exact Mass318.02
IUPAC Name1-chloro-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene
SMILESCc1cc(C(Cl)c2c(F)cc(F)cc2F)c(C)cc1Cl
InChIInChI=1S/C15H11Cl2F3/c1-7-4-11(16)8(2)3-10(7)15(17)14-12(19)5-9(18)6-13(14)20/h3-6,15H,1-2H3
InChIKeyNBABFOJXIIBHJK-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.15
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene
CID 65100197
1-[(2-bromo-6-fluorophenyl)-chloromethyl]-4-chloro-2,5-dimethylbenzene
CID 114560686
1-[(3-bromo-4-fluorophenyl)-chloromethyl]-4-chloro-2,5-dimethylbenzene
CID 107958916
1-chloro-2-[chloro-(2,6-difluoro-3-methylphenyl)methyl]-4,5-dimethylbenzene
CID 82816424
1-[(3-bromo-2-fluorophenyl)-chloromethyl]-4-chloro-2,5-dimethylbenzene
CID 114020868
2-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3,5-trifluorobenzene
CID 55200409
2-[bromo-(3-chloro-4-methylphenyl)methyl]-1,3,5-trifluorobenzene
CID 63438556
1-chloro-5-(difluoromethyl)-4-fluoro-2-methylbenzene
CID 130776793
2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879841
(1S)-1-(4-chloro-2-fluoro-5-methylphenyl)ethanamine
CID 55255941
1-[chloro-(2-chloro-6-fluorophenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 63434780
1-bromo-5-chloro-3-[chloro-(2,4,6-trifluorophenyl)methyl]-2-methoxybenzene
CID 65100734

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene?
The IUPAC name of 1-chloro-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene (CID 65100290) is 1-chloro-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene.
What is the SMILES notation for 1-chloro-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene?
The canonical SMILES for 1-chloro-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene is Cc1cc(C(Cl)c2c(F)cc(F)cc2F)c(C)cc1Cl.
What is the InChIKey of 1-chloro-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene?
The InChIKey is NBABFOJXIIBHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F3/c1-7-4-11(16)8(2)3-10(7)15(17)14-12(19)5-9(18)6-13(14)20/h3-6,15H,1-2H3.
What are the key properties of 1-chloro-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene?
1-chloro-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene has a molecular weight of 319.15 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene is sourced from PubChem (CID 65100290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).