1-(bromomethyl)-3,5-dideuterio-2-fluorobenzene

C7H6BrF — CID 155765719

IUPAC1-(bromomethyl)-3,5-dideuterio-2-fluorobenzene
SMILES[2H]c1cc([2H])c(F)c(CBr)c1
InChIInChI=1S/C7H6BrF/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2/i1D,4D
InChIKeyFFWQLZFIMNTUCZ-DRSKVUCWSA-N
MW191.04 g/mol
LogP2.72
Rot. Bonds1

About 1-(bromomethyl)-3,5-dideuterio-2-fluorobenzene

1-(bromomethyl)-3,5-dideuterio-2-fluorobenzene (PubChem CID 155765719) has the molecular formula C7H6BrF and a molecular weight of 191.04 g/mol. Its IUPAC name is 1-(bromomethyl)-3,5-dideuterio-2-fluorobenzene.

Molecular Properties

Compound Name1-(bromomethyl)-3,5-dideuterio-2-fluorobenzene
PubChem CID155765719
Molecular FormulaC7H6BrF
Molecular Weight191.04 g/mol
Exact Mass189.98
IUPAC Name1-(bromomethyl)-3,5-dideuterio-2-fluorobenzene
SMILES[2H]c1cc([2H])c(F)c(CBr)c1
InChIInChI=1S/C7H6BrF/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2/i1D,4D
InChIKeyFFWQLZFIMNTUCZ-DRSKVUCWSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.04
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3,5-dideuterio-2-fluorobenzene?
The IUPAC name of 1-(bromomethyl)-3,5-dideuterio-2-fluorobenzene (CID 155765719) is 1-(bromomethyl)-3,5-dideuterio-2-fluorobenzene.
What is the SMILES notation for 1-(bromomethyl)-3,5-dideuterio-2-fluorobenzene?
The canonical SMILES for 1-(bromomethyl)-3,5-dideuterio-2-fluorobenzene is [2H]c1cc([2H])c(F)c(CBr)c1.
What is the InChIKey of 1-(bromomethyl)-3,5-dideuterio-2-fluorobenzene?
The InChIKey is FFWQLZFIMNTUCZ-DRSKVUCWSA-N. The full InChI is InChI=1S/C7H6BrF/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2/i1D,4D.
What are the key properties of 1-(bromomethyl)-3,5-dideuterio-2-fluorobenzene?
1-(bromomethyl)-3,5-dideuterio-2-fluorobenzene has a molecular weight of 191.04 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3,5-dideuterio-2-fluorobenzene is sourced from PubChem (CID 155765719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).