bromocycloheptane

C7H13Br — CID 16992

IUPACbromocycloheptane
SMILESBrC1CCCCCC1
InChIInChI=1S/C7H13Br/c8-7-5-3-1-2-4-6-7/h7H,1-6H2
InChIKeyLOXORFRCPXUORP-UHFFFAOYSA-N
MW177.08 g/mol
LogP3.10
Rot. Bonds

About bromocycloheptane

bromocycloheptane (PubChem CID 16992) has the molecular formula C7H13Br and a molecular weight of 177.08 g/mol. Its IUPAC name is bromocycloheptane.

Molecular Properties

Compound Namebromocycloheptane
PubChem CID16992
Molecular FormulaC7H13Br
Molecular Weight177.08 g/mol
Exact Mass176.02
IUPAC Namebromocycloheptane
SMILESBrC1CCCCCC1
InChIInChI=1S/C7H13Br/c8-7-5-3-1-2-4-6-7/h7H,1-6H2
InChIKeyLOXORFRCPXUORP-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.08
LogP ≤ 53.10
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 bromocycloheptane?
The IUPAC name of bromocycloheptane (CID 16992) is bromocycloheptane.
What is the SMILES notation for bromocycloheptane?
The canonical SMILES for bromocycloheptane is BrC1CCCCCC1.
What is the InChIKey of bromocycloheptane?
The InChIKey is LOXORFRCPXUORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Br/c8-7-5-3-1-2-4-6-7/h7H,1-6H2.
What are the key properties of bromocycloheptane?
bromocycloheptane has a molecular weight of 177.08 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromocycloheptane is sourced from PubChem (CID 16992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).