1-(bromomethyl)-4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorobenzene

C13H5BrF6 — CID 134627869

IUPAC1-(bromomethyl)-4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorobenzene
SMILESFc1cccc(-c2c(F)c(F)c(CBr)c(F)c2F)c1F
InChIInChI=1S/C13H5BrF6/c14-4-6-10(17)12(19)8(13(20)11(6)18)5-2-1-3-7(15)9(5)16/h1-3H,4H2
InChIKeyVJIYLRYRDYCCLU-UHFFFAOYSA-N
MW355.08 g/mol
LogP5.08
Rot. Bonds2

About 1-(bromomethyl)-4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorobenzene

1-(bromomethyl)-4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorobenzene (PubChem CID 134627869) has the molecular formula C13H5BrF6 and a molecular weight of 355.08 g/mol. Its IUPAC name is 1-(bromomethyl)-4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorobenzene.

Molecular Properties

Compound Name1-(bromomethyl)-4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorobenzene
PubChem CID134627869
Molecular FormulaC13H5BrF6
Molecular Weight355.08 g/mol
Exact Mass353.95
IUPAC Name1-(bromomethyl)-4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorobenzene
SMILESFc1cccc(-c2c(F)c(F)c(CBr)c(F)c2F)c1F
InChIInChI=1S/C13H5BrF6/c14-4-6-10(17)12(19)8(13(20)11(6)18)5-2-1-3-7(15)9(5)16/h1-3H,4H2
InChIKeyVJIYLRYRDYCCLU-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.08
LogP ≤ 55.08
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-(2,6-difluorophenyl)-2,3-difluorobenzene
CID 91080743
2-(bromomethyl)-1,3-difluorobenzene;hydrochloride
CID 175540499
1-[2-(bromomethyl)-4-fluorophenyl]-2,3-difluorobenzene
CID 134619357
2,4,6-tris(2,3-difluorophenyl)-3,5-difluoropyridine
CID 133089036
2-(bromomethyl)-1-(2,6-dichlorophenyl)-3-fluorobenzene
CID 134619388
2-(bromomethyl)-1,3-difluorobenzene;ethene
CID 178142068
1,2-difluoro-3-(2-fluoro-6-methylphenyl)benzene
CID 134620923
1,2,3,4,5-pentafluoro-6-[2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
CID 175418212
1,2-bis(bromomethyl)-3-fluorobenzene
CID 14111600
1-(2,3-difluorophenyl)-2,3,4,5,6-pentafluoronaphthalene
CID 91341325
1-[2-(2,3-difluorophenyl)-4-fluorophenyl]-2,3,4,5,6-pentafluorobenzene
CID 157170971
1,2,3-trifluorobenzene
CID 15147

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorobenzene?
The IUPAC name of 1-(bromomethyl)-4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorobenzene (CID 134627869) is 1-(bromomethyl)-4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorobenzene.
What is the SMILES notation for 1-(bromomethyl)-4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorobenzene?
The canonical SMILES for 1-(bromomethyl)-4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorobenzene is Fc1cccc(-c2c(F)c(F)c(CBr)c(F)c2F)c1F.
What is the InChIKey of 1-(bromomethyl)-4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorobenzene?
The InChIKey is VJIYLRYRDYCCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5BrF6/c14-4-6-10(17)12(19)8(13(20)11(6)18)5-2-1-3-7(15)9(5)16/h1-3H,4H2.
What are the key properties of 1-(bromomethyl)-4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorobenzene?
1-(bromomethyl)-4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorobenzene has a molecular weight of 355.08 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorobenzene is sourced from PubChem (CID 134627869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).