1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]-2,5-difluorobenzene

C15H12Cl2F2 — CID 82771221

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

About 1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]-2,5-difluorobenzene

1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]-2,5-difluorobenzene (PubChem CID 82771221) has the molecular formula C15H12Cl2F2 and a molecular weight of 301.16 g/mol. Its IUPAC name is 1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]-2,5-difluorobenzene.

Molecular Properties

Compound Name1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]-2,5-difluorobenzene
PubChem CID82771221
Molecular FormulaC15H12Cl2F2
Molecular Weight301.16 g/mol
Exact Mass300.03
IUPAC Name1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]-2,5-difluorobenzene
SMILESCc1ccc(C(Cl)c2cc(F)c(Cl)cc2F)c(C)c1
InChIInChI=1S/C15H12Cl2F2/c1-8-3-4-10(9(2)5-8)15(17)11-6-14(19)12(16)7-13(11)18/h3-7,15H,1-2H3
InChIKeyCMLYAVYNIBFLRL-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'}, {'alert_name': 'halogenated_ring_1', '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
1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 106863202
1-chloro-4-[chloro-(2,4,5-trifluorophenyl)methyl]-2,5-difluorobenzene
CID 103303789
1-[chloro-(2,4-dimethylphenyl)methyl]-2-fluoro-3-methylbenzene
CID 81477595
1-chloro-4-[chloro-(2,5-difluorophenyl)methyl]-2,5-difluorobenzene
CID 82771504
1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethylbenzene
CID 114024870
1-bromo-4-[(2-bromo-4-methylphenyl)-chloromethyl]-2-chloro-5-fluorobenzene
CID 105399598
2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879841
1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]naphthalene
CID 79592602
(2-chloro-4-fluoro-5-methylphenyl)-(2,4-dimethylphenyl)methanamine
CID 81045582
1-[chloro-(4-methylphenyl)methyl]-2,4-dimethylbenzene
CID 63428656

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]-2,5-difluorobenzene?
The IUPAC name of 1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]-2,5-difluorobenzene (CID 82771221) is 1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]-2,5-difluorobenzene.
What is the SMILES notation for 1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]-2,5-difluorobenzene?
The canonical SMILES for 1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]-2,5-difluorobenzene is Cc1ccc(C(Cl)c2cc(F)c(Cl)cc2F)c(C)c1.
What is the InChIKey of 1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]-2,5-difluorobenzene?
The InChIKey is CMLYAVYNIBFLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F2/c1-8-3-4-10(9(2)5-8)15(17)11-6-14(19)12(16)7-13(11)18/h3-7,15H,1-2H3.
What are the key properties of 1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]-2,5-difluorobenzene?
1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]-2,5-difluorobenzene 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-4-[chloro-(2,4-dimethylphenyl)methyl]-2,5-difluorobenzene is sourced from PubChem (CID 82771221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).