1-[bromo-(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzene

C16H16BrF — CID 55197419

IUPAC1-[bromo-(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzene
SMILESCc1ccc(C(Br)c2ccc(C)c(F)c2)c(C)c1
InChIInChI=1S/C16H16BrF/c1-10-4-7-14(12(3)8-10)16(17)13-6-5-11(2)15(18)9-13/h4-9,16H,1-3H3
InChIKeyVRPJOCIFZLGJRI-UHFFFAOYSA-N
MW307.21 g/mol
LogP5.24
Rot. Bonds2

About 1-[bromo-(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzene

1-[bromo-(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzene (PubChem CID 55197419) has the molecular formula C16H16BrF and a molecular weight of 307.21 g/mol. Its IUPAC name is 1-[bromo-(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[bromo-(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzene
PubChem CID55197419
Molecular FormulaC16H16BrF
Molecular Weight307.21 g/mol
Exact Mass306.04
IUPAC Name1-[bromo-(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzene
SMILESCc1ccc(C(Br)c2ccc(C)c(F)c2)c(C)c1
InChIInChI=1S/C16H16BrF/c1-10-4-7-14(12(3)8-10)16(17)13-6-5-11(2)15(18)9-13/h4-9,16H,1-3H3
InChIKeyVRPJOCIFZLGJRI-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.21
LogP ≤ 55.24
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-fluoro-3-methylphenyl)methyl]-2,4-dimethylbenzene
CID 55199902
2-bromo-6-[bromo-(2,4-dimethylphenyl)methyl]naphthalene
CID 115354342
1-[bromo-(4-fluoro-3-methylphenyl)methyl]-4-chloro-2-methylbenzene
CID 114028122
4-bromo-1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-methylbenzene
CID 79747238
4-[bromo-(3,4-dichlorophenyl)methyl]-2-fluoro-1-methylbenzene
CID 55197637
1-[bromo-(3,5-dimethoxyphenyl)methyl]-2,4-dimethylbenzene
CID 63438910
1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2,4-dimethylbenzene
CID 63436140
1-(2-fluoro-4-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130367
2-[bromo-(3-fluoro-4-methylphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 55199736
1-[bromo-(2-bromo-4-fluorophenyl)methyl]-2,4-dimethylbenzene
CID 63438862
(2,4-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 62801842
(2-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107130353

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzene?
The IUPAC name of 1-[bromo-(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzene (CID 55197419) is 1-[bromo-(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzene.
What is the SMILES notation for 1-[bromo-(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzene?
The canonical SMILES for 1-[bromo-(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzene is Cc1ccc(C(Br)c2ccc(C)c(F)c2)c(C)c1.
What is the InChIKey of 1-[bromo-(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzene?
The InChIKey is VRPJOCIFZLGJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF/c1-10-4-7-14(12(3)8-10)16(17)13-6-5-11(2)15(18)9-13/h4-9,16H,1-3H3.
What are the key properties of 1-[bromo-(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzene?
1-[bromo-(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzene has a molecular weight of 307.21 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzene is sourced from PubChem (CID 55197419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).