1,3-bis(dibromomethyl)-2-fluorobenzene

C8H5Br4F — CID 125479949

IUPAC1,3-bis(dibromomethyl)-2-fluorobenzene
SMILESFc1c(C(Br)Br)cccc1C(Br)Br
InChIInChI=1S/C8H5Br4F/c9-7(10)4-2-1-3-5(6(4)13)8(11)12/h1-3,7-8H
InChIKeyYTKBNOFZHZSLLH-UHFFFAOYSA-N
MW439.74 g/mol
LogP5.40
Rot. Bonds2

About 1,3-bis(dibromomethyl)-2-fluorobenzene

1,3-bis(dibromomethyl)-2-fluorobenzene (PubChem CID 125479949) has the molecular formula C8H5Br4F and a molecular weight of 439.74 g/mol. Its IUPAC name is 1,3-bis(dibromomethyl)-2-fluorobenzene.

Molecular Properties

Compound Name1,3-bis(dibromomethyl)-2-fluorobenzene
PubChem CID125479949
Molecular FormulaC8H5Br4F
Molecular Weight439.74 g/mol
Exact Mass435.71
IUPAC Name1,3-bis(dibromomethyl)-2-fluorobenzene
SMILESFc1c(C(Br)Br)cccc1C(Br)Br
InChIInChI=1S/C8H5Br4F/c9-7(10)4-2-1-3-5(6(4)13)8(11)12/h1-3,7-8H
InChIKeyYTKBNOFZHZSLLH-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.74
LogP ≤ 55.40
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-(dibromomethyl)-2-fluoro-3-(trifluoromethyl)benzene
CID 175976807
2-bromo-2-(2,3-difluorophenyl)acetonitrile
CID 83086922
1-[bromo-(2-fluorophenyl)methyl]-2-fluorobenzene
CID 22565374
1-(dibromomethyl)-2-[2-(dibromomethyl)phenoxy]benzene
CID 175540729
1-(1-bromoheptyl)-2,3-difluorobenzene
CID 10989939
1,4-dibromo-2-[bromo-(3-bromo-2-fluorophenyl)methyl]benzene
CID 107958201
5-[bromo-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65297158
1-(dibromomethyl)anthracene-9,10-dione
CID 13270884
(3-bromo-2-fluorophenyl)-(2,6-dimethylphenyl)methanol
CID 106644550
2-fluoro-3-propan-2-ylphenol
CID 71302551
2-(dibromomethyl)benzaldehyde
CID 15212101
1-(difluoromethyl)-2-fluoro-3-methylbenzene;ethane
CID 164564324

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(dibromomethyl)-2-fluorobenzene?
The IUPAC name of 1,3-bis(dibromomethyl)-2-fluorobenzene (CID 125479949) is 1,3-bis(dibromomethyl)-2-fluorobenzene.
What is the SMILES notation for 1,3-bis(dibromomethyl)-2-fluorobenzene?
The canonical SMILES for 1,3-bis(dibromomethyl)-2-fluorobenzene is Fc1c(C(Br)Br)cccc1C(Br)Br.
What is the InChIKey of 1,3-bis(dibromomethyl)-2-fluorobenzene?
The InChIKey is YTKBNOFZHZSLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br4F/c9-7(10)4-2-1-3-5(6(4)13)8(11)12/h1-3,7-8H.
What are the key properties of 1,3-bis(dibromomethyl)-2-fluorobenzene?
1,3-bis(dibromomethyl)-2-fluorobenzene has a molecular weight of 439.74 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(dibromomethyl)-2-fluorobenzene is sourced from PubChem (CID 125479949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).