1-bromobicyclo[1.1.1]pentane

C5H7Br — CID 14664712

IUPAC1-bromobicyclo[1.1.1]pentane
SMILESBrC12CC(C1)C2
InChIInChI=1S/C5H7Br/c6-5-1-4(2-5)3-5/h4H,1-3H2
InChIKeyXFXJTOJDGTYWDX-UHFFFAOYSA-N
MW147.01 g/mol
LogP1.93
Rot. Bonds

About 1-bromobicyclo[1.1.1]pentane

1-bromobicyclo[1.1.1]pentane (PubChem CID 14664712) has the molecular formula C5H7Br and a molecular weight of 147.01 g/mol. Its IUPAC name is 1-bromobicyclo[1.1.1]pentane.

Molecular Properties

Compound Name1-bromobicyclo[1.1.1]pentane
PubChem CID14664712
Molecular FormulaC5H7Br
Molecular Weight147.01 g/mol
Exact Mass145.97
IUPAC Name1-bromobicyclo[1.1.1]pentane
SMILESBrC12CC(C1)C2
InChIInChI=1S/C5H7Br/c6-5-1-4(2-5)3-5/h4H,1-3H2
InChIKeyXFXJTOJDGTYWDX-UHFFFAOYSA-N
XLogP1.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.01
LogP ≤ 51.93
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-bromobicyclo[1.1.1]pentane?
The IUPAC name of 1-bromobicyclo[1.1.1]pentane (CID 14664712) is 1-bromobicyclo[1.1.1]pentane.
What is the SMILES notation for 1-bromobicyclo[1.1.1]pentane?
The canonical SMILES for 1-bromobicyclo[1.1.1]pentane is BrC12CC(C1)C2.
What is the InChIKey of 1-bromobicyclo[1.1.1]pentane?
The InChIKey is XFXJTOJDGTYWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Br/c6-5-1-4(2-5)3-5/h4H,1-3H2.
What are the key properties of 1-bromobicyclo[1.1.1]pentane?
1-bromobicyclo[1.1.1]pentane has a molecular weight of 147.01 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromobicyclo[1.1.1]pentane is sourced from PubChem (CID 14664712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).