1-(bromomethyl)-3-fluorobicyclo[1.1.1]pentane

C6H8BrF — CID 135392819

IUPAC1-(bromomethyl)-3-fluorobicyclo[1.1.1]pentane
SMILESFC12CC(CBr)(C1)C2
InChIInChI=1S/C6H8BrF/c7-4-5-1-6(8,2-5)3-5/h1-4H2
InChIKeyLREJOZOABGRTBC-UHFFFAOYSA-N
MW179.03 g/mol
LogP2.27
Rot. Bonds1

About 1-(bromomethyl)-3-fluorobicyclo[1.1.1]pentane

1-(bromomethyl)-3-fluorobicyclo[1.1.1]pentane (PubChem CID 135392819) has the molecular formula C6H8BrF and a molecular weight of 179.03 g/mol. Its IUPAC name is 1-(bromomethyl)-3-fluorobicyclo[1.1.1]pentane.

Molecular Properties

Compound Name1-(bromomethyl)-3-fluorobicyclo[1.1.1]pentane
PubChem CID135392819
Molecular FormulaC6H8BrF
Molecular Weight179.03 g/mol
Exact Mass177.98
IUPAC Name1-(bromomethyl)-3-fluorobicyclo[1.1.1]pentane
SMILESFC12CC(CBr)(C1)C2
InChIInChI=1S/C6H8BrF/c7-4-5-1-6(8,2-5)3-5/h1-4H2
InChIKeyLREJOZOABGRTBC-UHFFFAOYSA-N
XLogP2.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.03
LogP ≤ 52.27
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-fluorobicyclo[1.1.1]pentane?
The IUPAC name of 1-(bromomethyl)-3-fluorobicyclo[1.1.1]pentane (CID 135392819) is 1-(bromomethyl)-3-fluorobicyclo[1.1.1]pentane.
What is the SMILES notation for 1-(bromomethyl)-3-fluorobicyclo[1.1.1]pentane?
The canonical SMILES for 1-(bromomethyl)-3-fluorobicyclo[1.1.1]pentane is FC12CC(CBr)(C1)C2.
What is the InChIKey of 1-(bromomethyl)-3-fluorobicyclo[1.1.1]pentane?
The InChIKey is LREJOZOABGRTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrF/c7-4-5-1-6(8,2-5)3-5/h1-4H2.
What are the key properties of 1-(bromomethyl)-3-fluorobicyclo[1.1.1]pentane?
1-(bromomethyl)-3-fluorobicyclo[1.1.1]pentane has a molecular weight of 179.03 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3-fluorobicyclo[1.1.1]pentane is sourced from PubChem (CID 135392819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).