2-bromo-5-fluoropiperidine

C5H9BrFN — CID 42628782

IUPAC2-bromo-5-fluoropiperidine
SMILESFC1CCC(Br)NC1
InChIInChI=1S/C5H9BrFN/c6-5-2-1-4(7)3-8-5/h4-5,8H,1-3H2
InChIKeyPCGXVXRSXNXSPL-UHFFFAOYSA-N
MW182.04 g/mol
LogP1.43
Rot. Bonds

About 2-bromo-5-fluoropiperidine

2-bromo-5-fluoropiperidine (PubChem CID 42628782) has the molecular formula C5H9BrFN and a molecular weight of 182.04 g/mol. Its IUPAC name is 2-bromo-5-fluoropiperidine.

Molecular Properties

Compound Name2-bromo-5-fluoropiperidine
PubChem CID42628782
Molecular FormulaC5H9BrFN
Molecular Weight182.04 g/mol
Exact Mass180.99
IUPAC Name2-bromo-5-fluoropiperidine
SMILESFC1CCC(Br)NC1
InChIInChI=1S/C5H9BrFN/c6-5-2-1-4(7)3-8-5/h4-5,8H,1-3H2
InChIKeyPCGXVXRSXNXSPL-UHFFFAOYSA-N
XLogP1.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.04
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoropiperidine?
The IUPAC name of 2-bromo-5-fluoropiperidine (CID 42628782) is 2-bromo-5-fluoropiperidine.
What is the SMILES notation for 2-bromo-5-fluoropiperidine?
The canonical SMILES for 2-bromo-5-fluoropiperidine is FC1CCC(Br)NC1.
What is the InChIKey of 2-bromo-5-fluoropiperidine?
The InChIKey is PCGXVXRSXNXSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BrFN/c6-5-2-1-4(7)3-8-5/h4-5,8H,1-3H2.
What are the key properties of 2-bromo-5-fluoropiperidine?
2-bromo-5-fluoropiperidine has a molecular weight of 182.04 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoropiperidine is sourced from PubChem (CID 42628782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).