1-chloro-4-[chloro-(3,4-dimethylphenyl)methyl]-2-fluorobenzene

C15H13Cl2F — CID 107991387

IUPAC1-chloro-4-[chloro-(3,4-dimethylphenyl)methyl]-2-fluorobenzene
SMILESCc1ccc(C(Cl)c2ccc(Cl)c(F)c2)cc1C
InChIInChI=1S/C15H13Cl2F/c1-9-3-4-11(7-10(9)2)15(17)12-5-6-13(16)14(18)8-12/h3-8,15H,1-2H3
InChIKeyPMPLTDFLVBWVDP-UHFFFAOYSA-N
MW283.17 g/mol
LogP5.42
Rot. Bonds2

About 1-chloro-4-[chloro-(3,4-dimethylphenyl)methyl]-2-fluorobenzene

1-chloro-4-[chloro-(3,4-dimethylphenyl)methyl]-2-fluorobenzene (PubChem CID 107991387) has the molecular formula C15H13Cl2F and a molecular weight of 283.17 g/mol. Its IUPAC name is 1-chloro-4-[chloro-(3,4-dimethylphenyl)methyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-chloro-4-[chloro-(3,4-dimethylphenyl)methyl]-2-fluorobenzene
PubChem CID107991387
Molecular FormulaC15H13Cl2F
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name1-chloro-4-[chloro-(3,4-dimethylphenyl)methyl]-2-fluorobenzene
SMILESCc1ccc(C(Cl)c2ccc(Cl)c(F)c2)cc1C
InChIInChI=1S/C15H13Cl2F/c1-9-3-4-11(7-10(9)2)15(17)12-5-6-13(16)14(18)8-12/h3-8,15H,1-2H3
InChIKeyPMPLTDFLVBWVDP-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.17
LogP ≤ 55.42
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

5-[chloro-(4-chloro-3-fluorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene
CID 107992162
2-[chloro-(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylthiophene
CID 107992088
4-[chloro-(3,4-difluorophenyl)methyl]-1-fluoro-2-methylbenzene
CID 63431448
(4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107996089
4-[2-bromo-2-(4-chloro-3-fluorophenyl)ethyl]-1,2-dimethylbenzene
CID 107993381
(4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 114025071
(4-chloro-3-methylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107130625
4-[chloro-(4-iodophenyl)methyl]-1,2-dimethylbenzene
CID 63427367
1-[chloro-(3,4-dimethylphenyl)methyl]-3,5-dimethylbenzene
CID 63430827
N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 83057829
2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene
CID 63429095
1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 107992985

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[chloro-(3,4-dimethylphenyl)methyl]-2-fluorobenzene?
The IUPAC name of 1-chloro-4-[chloro-(3,4-dimethylphenyl)methyl]-2-fluorobenzene (CID 107991387) is 1-chloro-4-[chloro-(3,4-dimethylphenyl)methyl]-2-fluorobenzene.
What is the SMILES notation for 1-chloro-4-[chloro-(3,4-dimethylphenyl)methyl]-2-fluorobenzene?
The canonical SMILES for 1-chloro-4-[chloro-(3,4-dimethylphenyl)methyl]-2-fluorobenzene is Cc1ccc(C(Cl)c2ccc(Cl)c(F)c2)cc1C.
What is the InChIKey of 1-chloro-4-[chloro-(3,4-dimethylphenyl)methyl]-2-fluorobenzene?
The InChIKey is PMPLTDFLVBWVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F/c1-9-3-4-11(7-10(9)2)15(17)12-5-6-13(16)14(18)8-12/h3-8,15H,1-2H3.
What are the key properties of 1-chloro-4-[chloro-(3,4-dimethylphenyl)methyl]-2-fluorobenzene?
1-chloro-4-[chloro-(3,4-dimethylphenyl)methyl]-2-fluorobenzene has a molecular weight of 283.17 g/mol, XLogP of 5.42, 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-(3,4-dimethylphenyl)methyl]-2-fluorobenzene is sourced from PubChem (CID 107991387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).