2-(bromomethyl)-4-fluoro-1-(4-methylphenyl)benzene

C14H12BrF — CID 141469251

IUPAC2-(bromomethyl)-4-fluoro-1-(4-methylphenyl)benzene
SMILESCc1ccc(-c2ccc(F)cc2CBr)cc1
InChIInChI=1S/C14H12BrF/c1-10-2-4-11(5-3-10)14-7-6-13(16)8-12(14)9-15/h2-8H,9H2,1H3
InChIKeyVDIFFNHWYOLXJS-UHFFFAOYSA-N
MW279.15 g/mol
LogP4.70
Rot. Bonds2

About 2-(bromomethyl)-4-fluoro-1-(4-methylphenyl)benzene

2-(bromomethyl)-4-fluoro-1-(4-methylphenyl)benzene (PubChem CID 141469251) has the molecular formula C14H12BrF and a molecular weight of 279.15 g/mol. Its IUPAC name is 2-(bromomethyl)-4-fluoro-1-(4-methylphenyl)benzene.

Molecular Properties

Compound Name2-(bromomethyl)-4-fluoro-1-(4-methylphenyl)benzene
PubChem CID141469251
Molecular FormulaC14H12BrF
Molecular Weight279.15 g/mol
Exact Mass278.01
IUPAC Name2-(bromomethyl)-4-fluoro-1-(4-methylphenyl)benzene
SMILESCc1ccc(-c2ccc(F)cc2CBr)cc1
InChIInChI=1S/C14H12BrF/c1-10-2-4-11(5-3-10)14-7-6-13(16)8-12(14)9-15/h2-8H,9H2,1H3
InChIKeyVDIFFNHWYOLXJS-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.15
LogP ≤ 54.70
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

2-(bromomethyl)-4-fluoro-1-phenylbenzene
CID 59789301
1-[2-(bromomethyl)-4-fluorophenyl]-2,3-difluorobenzene
CID 134619357
2-(bromomethyl)-4-fluoro-1-[2-(trifluoromethoxy)phenyl]benzene
CID 134619444
2-(chloromethyl)-4-methyl-1-(4-methylphenyl)benzene;ethane
CID 178006479
2-(bromomethyl)-4-fluoro-1-iodobenzene
CID 75412008
CID 171836112
CID 171836112
1-[5-fluoro-2-(4-methylphenyl)phenyl]ethanone
CID 175647024
2-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
CID 107698949
2-(3,3-difluoroprop-2-enyl)-4-fluoro-1-(4-fluorophenyl)benzene
CID 59848001
4-fluoro-1-(4-methylphenyl)-2-nitrobenzene
CID 67753587
3-(4-fluorophenyl)-4-(4-methylphenyl)aniline
CID 157225237
4-(4-fluorophenyl)-2-iodo-1-(4-methylphenyl)benzene
CID 144502966

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-fluoro-1-(4-methylphenyl)benzene?
The IUPAC name of 2-(bromomethyl)-4-fluoro-1-(4-methylphenyl)benzene (CID 141469251) is 2-(bromomethyl)-4-fluoro-1-(4-methylphenyl)benzene.
What is the SMILES notation for 2-(bromomethyl)-4-fluoro-1-(4-methylphenyl)benzene?
The canonical SMILES for 2-(bromomethyl)-4-fluoro-1-(4-methylphenyl)benzene is Cc1ccc(-c2ccc(F)cc2CBr)cc1.
What is the InChIKey of 2-(bromomethyl)-4-fluoro-1-(4-methylphenyl)benzene?
The InChIKey is VDIFFNHWYOLXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF/c1-10-2-4-11(5-3-10)14-7-6-13(16)8-12(14)9-15/h2-8H,9H2,1H3.
What are the key properties of 2-(bromomethyl)-4-fluoro-1-(4-methylphenyl)benzene?
2-(bromomethyl)-4-fluoro-1-(4-methylphenyl)benzene has a molecular weight of 279.15 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-fluoro-1-(4-methylphenyl)benzene is sourced from PubChem (CID 141469251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).