1-[bromo-(4-methylphenyl)methyl]-2,4-difluorobenzene

C14H11BrF2 — CID 63437391

IUPAC1-[bromo-(4-methylphenyl)methyl]-2,4-difluorobenzene
SMILESCc1ccc(C(Br)c2ccc(F)cc2F)cc1
InChIInChI=1S/C14H11BrF2/c1-9-2-4-10(5-3-9)14(15)12-7-6-11(16)8-13(12)17/h2-8,14H,1H3
InChIKeyOVZNQTXNAICSNN-UHFFFAOYSA-N
MW297.14 g/mol
LogP4.76
Rot. Bonds2

About 1-[bromo-(4-methylphenyl)methyl]-2,4-difluorobenzene

1-[bromo-(4-methylphenyl)methyl]-2,4-difluorobenzene (PubChem CID 63437391) has the molecular formula C14H11BrF2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 1-[bromo-(4-methylphenyl)methyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[bromo-(4-methylphenyl)methyl]-2,4-difluorobenzene
PubChem CID63437391
Molecular FormulaC14H11BrF2
Molecular Weight297.14 g/mol
Exact Mass296.00
IUPAC Name1-[bromo-(4-methylphenyl)methyl]-2,4-difluorobenzene
SMILESCc1ccc(C(Br)c2ccc(F)cc2F)cc1
InChIInChI=1S/C14H11BrF2/c1-9-2-4-10(5-3-9)14(15)12-7-6-11(16)8-13(12)17/h2-8,14H,1H3
InChIKeyOVZNQTXNAICSNN-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 54.76
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-methylphenyl)methyl]-4-chloro-2-fluorobenzene
CID 63437001
1-[bromo-(3,4-dichlorophenyl)methyl]-2,4-difluorobenzene
CID 63442364
1-[bromo-(4-fluorophenyl)methyl]-2-chloro-4-methylbenzene
CID 106862999
4-bromo-1-[bromo-(4-bromophenyl)methyl]-2-fluorobenzene
CID 63438984
1-bromo-4-[bromo-(4-methylphenyl)methyl]-2-fluorobenzene
CID 63437045
4-bromo-1-[bromo-(4-ethylphenyl)methyl]-2-fluorobenzene
CID 63439911
1-bromo-2-[bromo-(2,4-difluorophenyl)methyl]-4-fluorobenzene
CID 63442403
1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2,4-dimethylbenzene
CID 55199902
1-[4-(1-bromoethyl)phenyl]-2,4-difluorobenzene
CID 21322621
4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene
CID 63437201
1-[bromo-(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzene
CID 55197419
5-[bromo-(2,4-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran
CID 63447758

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(4-methylphenyl)methyl]-2,4-difluorobenzene?
The IUPAC name of 1-[bromo-(4-methylphenyl)methyl]-2,4-difluorobenzene (CID 63437391) is 1-[bromo-(4-methylphenyl)methyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[bromo-(4-methylphenyl)methyl]-2,4-difluorobenzene?
The canonical SMILES for 1-[bromo-(4-methylphenyl)methyl]-2,4-difluorobenzene is Cc1ccc(C(Br)c2ccc(F)cc2F)cc1.
What is the InChIKey of 1-[bromo-(4-methylphenyl)methyl]-2,4-difluorobenzene?
The InChIKey is OVZNQTXNAICSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2/c1-9-2-4-10(5-3-9)14(15)12-7-6-11(16)8-13(12)17/h2-8,14H,1H3.
What are the key properties of 1-[bromo-(4-methylphenyl)methyl]-2,4-difluorobenzene?
1-[bromo-(4-methylphenyl)methyl]-2,4-difluorobenzene has a molecular weight of 297.14 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(4-methylphenyl)methyl]-2,4-difluorobenzene is sourced from PubChem (CID 63437391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).