1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene

C15H12Cl2F2 — CID 106863202

IUPAC1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene
SMILESCc1ccc(C(Cl)c2cc(C)c(F)cc2F)c(Cl)c1
InChIInChI=1S/C15H12Cl2F2/c1-8-3-4-10(12(16)5-8)15(17)11-6-9(2)13(18)7-14(11)19/h3-7,15H,1-2H3
InChIKeyWWWILKRELHXDTN-UHFFFAOYSA-N
MW301.16 g/mol
LogP5.56
Rot. Bonds2

About 1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene

1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene (PubChem CID 106863202) has the molecular formula C15H12Cl2F2 and a molecular weight of 301.16 g/mol. Its IUPAC name is 1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene.

Molecular Properties

Compound Name1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene
PubChem CID106863202
Molecular FormulaC15H12Cl2F2
Molecular Weight301.16 g/mol
Exact Mass300.03
IUPAC Name1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene
SMILESCc1ccc(C(Cl)c2cc(C)c(F)cc2F)c(Cl)c1
InChIInChI=1S/C15H12Cl2F2/c1-8-3-4-10(12(16)5-8)15(17)11-6-9(2)13(18)7-14(11)19/h3-7,15H,1-2H3
InChIKeyWWWILKRELHXDTN-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.16
LogP ≤ 55.56
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-chloro-2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-4-methylbenzene
CID 81050811
1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-dimethylbenzene
CID 106862883
(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanol
CID 106862791
(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanamine
CID 106861126
1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]-2,5-difluorobenzene
CID 82771221
1-[(2-bromo-5-methylphenyl)-chloromethyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81116914
(2-chloro-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanamine
CID 106861105
(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dimethylphenyl)methanol
CID 81050730
1-[(5-bromo-2-fluorophenyl)-chloromethyl]-2-chloro-4,5-dimethylbenzene
CID 115484618
(2-chloro-4-fluoro-5-methylphenyl)-(2,4-dimethylphenyl)methanamine
CID 81045582
1-bromo-4-[(2-bromo-4-methylphenyl)-chloromethyl]-2-chloro-5-fluorobenzene
CID 105399598
2-(2-chloro-4-methylphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
CID 106866648

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene?
The IUPAC name of 1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene (CID 106863202) is 1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene.
What is the SMILES notation for 1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene?
The canonical SMILES for 1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene is Cc1ccc(C(Cl)c2cc(C)c(F)cc2F)c(Cl)c1.
What is the InChIKey of 1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene?
The InChIKey is WWWILKRELHXDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F2/c1-8-3-4-10(12(16)5-8)15(17)11-6-9(2)13(18)7-14(11)19/h3-7,15H,1-2H3.
What are the key properties of 1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene?
1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene has a molecular weight of 301.16 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene is sourced from PubChem (CID 106863202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).