1-bromo-3-fluorobicyclo[1.1.1]pentane

C5H6BrF — CID 15759506

IUPAC1-bromo-3-fluorobicyclo[1.1.1]pentane
SMILESFC12CC(Br)(C1)C2
InChIInChI=1S/C5H6BrF/c6-4-1-5(7,2-4)3-4/h1-3H2
InChIKeyAIOZYSIJFGNMAC-UHFFFAOYSA-N
MW165.00 g/mol
LogP2.03
Rot. Bonds

About 1-bromo-3-fluorobicyclo[1.1.1]pentane

1-bromo-3-fluorobicyclo[1.1.1]pentane (PubChem CID 15759506) has the molecular formula C5H6BrF and a molecular weight of 165.00 g/mol. Its IUPAC name is 1-bromo-3-fluorobicyclo[1.1.1]pentane.

Molecular Properties

Compound Name1-bromo-3-fluorobicyclo[1.1.1]pentane
PubChem CID15759506
Molecular FormulaC5H6BrF
Molecular Weight165.00 g/mol
Exact Mass163.96
IUPAC Name1-bromo-3-fluorobicyclo[1.1.1]pentane
SMILESFC12CC(Br)(C1)C2
InChIInChI=1S/C5H6BrF/c6-4-1-5(7,2-4)3-4/h1-3H2
InChIKeyAIOZYSIJFGNMAC-UHFFFAOYSA-N
XLogP2.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.00
LogP ≤ 52.03
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-bromo-3-fluorobicyclo[1.1.1]pentane?
The IUPAC name of 1-bromo-3-fluorobicyclo[1.1.1]pentane (CID 15759506) is 1-bromo-3-fluorobicyclo[1.1.1]pentane.
What is the SMILES notation for 1-bromo-3-fluorobicyclo[1.1.1]pentane?
The canonical SMILES for 1-bromo-3-fluorobicyclo[1.1.1]pentane is FC12CC(Br)(C1)C2.
What is the InChIKey of 1-bromo-3-fluorobicyclo[1.1.1]pentane?
The InChIKey is AIOZYSIJFGNMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrF/c6-4-1-5(7,2-4)3-4/h1-3H2.
What are the key properties of 1-bromo-3-fluorobicyclo[1.1.1]pentane?
1-bromo-3-fluorobicyclo[1.1.1]pentane has a molecular weight of 165.00 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-fluorobicyclo[1.1.1]pentane is sourced from PubChem (CID 15759506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).